5-[2-(dimethylamino)ethylamino]benzo[c][2,6]naphthyridine-8-carboxylic acid;5-(3-hydroxypropyl)-3-(2H-tetrazol-5-yl)phenanthridin-6-one;methyl 5-anilinobenzo[c][2,6]naphthyridine-8-carboxylate;N-phenyl-8-(2H-tetrazol-5-yl)benzo[c][2,6]naphthyridin-5-amine

C73H61N19O6 — CID 159367588

IUPAC5-[2-(dimethylamino)ethylamino]benzo[c][2,6]naphthyridine-8-carboxylic acid;5-(3-hydroxypropyl)-3-(2H-tetrazol-5-yl)phenanthridin-6-one;methyl 5-anilinobenzo[c][2,6]naphthyridine-8-carboxylate;N-phenyl-8-(2H-tetrazol-5-yl)benzo[c][2,6]naphthyridin-5-amine
SMILESCN(C)CCNc1nc2cc(C(=O)O)ccc2c2cnccc12.COC(=O)c1ccc2c(c1)nc(Nc1ccccc1)c1ccncc12.O=c1c2ccccc2c2ccc(-c3nn[nH]n3)cc2n1CCCO.c1ccc(Nc2nc3cc(-c4nn[nH]n4)ccc3c3cnccc23)cc1
InChIInChI=1S/C20H15N3O2.C19H13N7.C17H15N5O2.C17H18N4O2/c1-25-20(24)13-7-8-15-17-12-21-10-9-16(17)19(23-18(15)11-13)22-14-5-3-2-4-6-14;1-2-4-13(5-3-1)21-19-15-8-9-20-11-16(15)14-7-6-12(10-17(14)22-19)18-23-25-26-24-18;23-9-3-8-22-15-10-11(16-18-20-21-19-16)6-7-13(15)12-4-1-2-5-14(12)17(22)24;1-21(2)8-7-19-16-13-5-6-18-10-14(13)12-4-3-11(17(22)23)9-15(12)20-16/h2-12H,1H3,(H,22,23);1-11H,(H,21,22)(H,23,24,25,26);1-2,4-7,10,23H,3,8-9H2,(H,18,19,20,21);3-6,9-10H,7-8H2,1-2H3,(H,19,20)(H,22,23)
InChIKeyLJICYZBWXZUESP-UHFFFAOYSA-N
MW1300.42 g/mol
LogP12.19
Rot. Bonds15

About 5-[2-(dimethylamino)ethylamino]benzo[c][2,6]naphthyridine-8-carboxylic acid;5-(3-hydroxypropyl)-3-(2H-tetrazol-5-yl)phenanthridin-6-one;methyl 5-anilinobenzo[c][2,6]naphthyridine-8-carboxylate;N-phenyl-8-(2H-tetrazol-5-yl)benzo[c][2,6]naphthyridin-5-amine

5-[2-(dimethylamino)ethylamino]benzo[c][2,6]naphthyridine-8-carboxylic acid;5-(3-hydroxypropyl)-3-(2H-tetrazol-5-yl)phenanthridin-6-one;methyl 5-anilinobenzo[c][2,6]naphthyridine-8-carboxylate;N-phenyl-8-(2H-tetrazol-5-yl)benzo[c][2,6]naphthyridin-5-amine (PubChem CID 159367588) has the molecular formula C73H61N19O6 and a molecular weight of 1300.42 g/mol. Its IUPAC name is 5-[2-(dimethylamino)ethylamino]benzo[c][2,6]naphthyridine-8-carboxylic acid;5-(3-hydroxypropyl)-3-(2H-tetrazol-5-yl)phenanthridin-6-one;methyl 5-anilinobenzo[c][2,6]naphthyridine-8-carboxylate;N-phenyl-8-(2H-tetrazol-5-yl)benzo[c][2,6]naphthyridin-5-amine.

Molecular Properties

Compound Name5-[2-(dimethylamino)ethylamino]benzo[c][2,6]naphthyridine-8-carboxylic acid;5-(3-hydroxypropyl)-3-(2H-tetrazol-5-yl)phenanthridin-6-one;methyl 5-anilinobenzo[c][2,6]naphthyridine-8-carboxylate;N-phenyl-8-(2H-tetrazol-5-yl)benzo[c][2,6]naphthyridin-5-amine
PubChem CID159367588
Molecular FormulaC73H61N19O6
Molecular Weight1300.42 g/mol
Exact Mass1299.51
IUPAC Name5-[2-(dimethylamino)ethylamino]benzo[c][2,6]naphthyridine-8-carboxylic acid;5-(3-hydroxypropyl)-3-(2H-tetrazol-5-yl)phenanthridin-6-one;methyl 5-anilinobenzo[c][2,6]naphthyridine-8-carboxylate;N-phenyl-8-(2H-tetrazol-5-yl)benzo[c][2,6]naphthyridin-5-amine
SMILESCN(C)CCNc1nc2cc(C(=O)O)ccc2c2cnccc12.COC(=O)c1ccc2c(c1)nc(Nc1ccccc1)c1ccncc12.O=c1c2ccccc2c2ccc(-c3nn[nH]n3)cc2n1CCCO.c1ccc(Nc2nc3cc(-c4nn[nH]n4)ccc3c3cnccc23)cc1
InChIInChI=1S/C20H15N3O2.C19H13N7.C17H15N5O2.C17H18N4O2/c1-25-20(24)13-7-8-15-17-12-21-10-9-16(17)19(23-18(15)11-13)22-14-5-3-2-4-6-14;1-2-4-13(5-3-1)21-19-15-8-9-20-11-16(15)14-7-6-12(10-17(14)22-19)18-23-25-26-24-18;23-9-3-8-22-15-10-11(16-18-20-21-19-16)6-7-13(15)12-4-1-2-5-14(12)17(22)24;1-21(2)8-7-19-16-13-5-6-18-10-14(13)12-4-3-11(17(22)23)9-15(12)20-16/h2-12H,1H3,(H,22,23);1-11H,(H,21,22)(H,23,24,25,26);1-2,4-7,10,23H,3,8-9H2,(H,18,19,20,21);3-6,9-10H,7-8H2,1-2H3,(H,19,20)(H,22,23)
InChIKeyLJICYZBWXZUESP-UHFFFAOYSA-N
XLogP12.19
TPSA331.42 Ų
H-Bond Donors7
H-Bond Acceptors22
Rotatable Bonds15
Heavy Atoms98
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001300.42
LogP ≤ 512.19
H-Bond Donors ≤ 57
H-Bond Acceptors ≤ 1022

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

Analyze 5-[2-(dimethylamino)ethylamino]benzo[c][2,6]naphthyridine-8-carboxylic acid;5-(3-hydroxypropyl)-3-(2H-tetrazol-5-yl)phenanthridin-6-one;methyl 5-anilinobenzo[c][2,6]naphthyridine-8-carboxylate;N-phenyl-8-(2H-tetrazol-5-yl)benzo[c][2,6]naphthyridin-5-amine with MolForge

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Related Compounds

Methyl 4-[[(5-phenyl-2-pyrimidin-5-ylquinazolin-4-yl)amino]methyl]benzoate;4-[[(5-phenyl-2-pyrimidin-5-ylquinazolin-4-yl)amino]methyl]benzoic acid
CID 157220042
1-(3-acetamidopropyl)-5-(2-aminopyrimidin-4-yl)-2-phenylpyrrole-3-carboxylic acid;2-(4-acetylpiperazin-1-yl)-4-[2-(2-phenylethyl)-4-pyridinyl]cyclopenta-1,4-diene-1-carboximidamide;ethyl 1-(3-acetamidopropyl)-5-(2-aminopyrimidin-4-yl)-2-phenylpyrrole-3-carboxylate;2-imino-2-[4-[2-[(E)-2-phenylethenyl]-4-pyridinyl]-2-piperazin-1-ylcyclopenta-1,4-dien-1-yl]ethanol;4-[2-(2-phenylethyl)-4-pyridinyl]-2-piperazin-1-ylcyclopenta-1,4-diene-1-carboximidamide;3-phenyl-1-[4-[2-[(E)-2-phenylethenyl]-4-pyridinyl]-2-piperidin-4-ylcyclopenta-1,4-dien-1-yl]propan-1-one;2-piperazin-1-yl-4-(2-quinolin-3-yl-4-pyridinyl)cyclopenta-1,4-diene-1-carboximidamide
CID 157550436
1-(3-acetamidopropyl)-5-(2-aminopyrimidin-4-yl)-2-phenylpyrrole-3-carboxylic acid;ethyl 1-(3-acetamidopropyl)-5-(2-aminopyrimidin-4-yl)-2-phenylpyrrole-3-carboxylate;2-imino-2-[4-[2-[(E)-2-phenylethenyl]-4-pyridinyl]-2-piperazin-1-ylcyclopenta-1,4-dien-1-yl]ethanol;4-[2-(2-phenylethyl)-4-pyridinyl]-2-piperazin-1-ylcyclopenta-1,4-diene-1-carboximidamide;3-phenyl-1-[4-[2-[(E)-2-phenylethenyl]-4-pyridinyl]-2-piperidin-4-ylcyclopenta-1,4-dien-1-yl]propan-1-one;2-piperazin-1-yl-4-(2-quinolin-3-yl-4-pyridinyl)cyclopenta-1,4-diene-1-carboximidamide
CID 157592368
1-(5-anilinobenzo[c][2,6]naphthyridin-8-yl)ethanone;5-[2-(dimethylamino)ethylamino]benzo[c][2,6]naphthyridine-8-carboxylic acid;N',N'-dimethyl-N-[8-(4H-pyrazol-3-yl)benzo[c][2,6]naphthyridin-5-yl]ethane-1,2-diamine;methyl 5-anilinobenzo[c][2,6]naphthyridine-8-carboxylate;N-phenyl-8-(4H-pyrazol-3-yl)benzo[c][2,6]naphthyridin-5-amine
CID 157999773
5-Anilino-3-[3-(diethylamino)propyl]pyrimido[4,5-c]quinoline-8-carboxylic acid;5-anilino-3-(3-hydroxypropylamino)pyrimido[4,5-c]quinoline-8-carboxylic acid;5-anilino-3-(piperidin-4-ylmethyl)pyrimido[4,5-c]quinoline-8-carboxylic acid
CID 158640432
6-(4-propan-2-yl-1,2,4-triazol-3-yl)pyridin-2-amine;bis(N-[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]quinoline-7-carboxamide);quinoline-7-carbonyl chloride;quinoline-7-carboxylic acid
CID 159219609
ethyl 4-(4-fluorophenyl)-2-(2-methyl-4-pyridinyl)quinoline-7-carboxylate;4-(4-fluorophenyl)-2-(2-methyl-4-pyridinyl)quinoline-7-carboxylic acid;4-(4-fluorophenyl)-2-(2-methyl-4-pyridinyl)-N-[3-(1H-1,2,4-triazol-5-yl)propyl]quinoline-7-carboxamide
CID 159271968
N-[(6-amino-2,4-dimethyl-3-pyridinyl)methyl]-1-[(1-methyl-3,4-dihydro-2H-quinolin-7-yl)methyl]pyrazole-4-carboxamide;ethyl 1-[(1-methyl-3,4-dihydro-2H-quinolin-7-yl)methyl]pyrazole-4-carboxylate;ethyl 2H-pyrrole-4-carboxylate;(1-methyl-3,4-dihydro-2H-quinolin-7-yl)methanol;1-[(1-methyl-3,4-dihydro-2H-quinolin-7-yl)methyl]pyrazole-4-carboxylic acid;methyl 1-methyl-3,4-dihydro-2H-quinoline-7-carboxylate;methyl 5,6,7,8-tetrahydronaphthalene-2-carboxylate
CID 159455980
5-anilinobenzo[c][2,6]naphthyridine-8-carboxylic acid;N',N'-dimethyl-N-[8-(2H-tetrazol-5-yl)benzo[c][2,6]naphthyridin-5-yl]ethane-1,2-diamine;8-(2H-tetrazol-5-yl)-6H-benzo[c][2,6]naphthyridin-5-one
CID 160162938
Ethyl 4-[6-[4-[4-[(2-methylpropan-2-yl)oxycarbonyl]piperazin-1-yl]phenyl]pyrazolo[1,5-a]pyrimidin-3-yl]quinoline-7-carboxylate;4-[6-[4-[4-[(2-methylpropan-2-yl)oxycarbonyl]piperazin-1-yl]phenyl]pyrazolo[1,5-a]pyrimidin-3-yl]quinoline-7-carboxylic acid
CID 160219542
benzyl 6-fluoro-1-methyl-7-[[6-(1-propan-2-yltetrazol-5-yl)-2-pyridinyl]carbamoyl]-3,4-dihydro-1H-isoquinoline-2-carboxylate;6-fluoro-1-methyl-2-phenylmethoxycarbonyl-3,4-dihydro-1H-isoquinoline-7-carboxylic acid;methane;6-(1-propan-2-yltetrazol-5-yl)pyridin-2-amine
CID 160486422
Tert-butyl 4-[4-[3-(7-carbamoylquinolin-4-yl)pyrazolo[1,5-a]pyrimidin-6-yl]phenyl]piperazine-1-carboxylate;4-[6-[4-[4-[(2-methylpropan-2-yl)oxycarbonyl]piperazin-1-yl]phenyl]pyrazolo[1,5-a]pyrimidin-3-yl]quinoline-7-carboxylic acid
CID 160680549

Frequently Asked Questions

What is the IUPAC name of 5-[2-(dimethylamino)ethylamino]benzo[c][2,6]naphthyridine-8-carboxylic acid;5-(3-hydroxypropyl)-3-(2H-tetrazol-5-yl)phenanthridin-6-one;methyl 5-anilinobenzo[c][2,6]naphthyridine-8-carboxylate;N-phenyl-8-(2H-tetrazol-5-yl)benzo[c][2,6]naphthyridin-5-amine?
The IUPAC name of 5-[2-(dimethylamino)ethylamino]benzo[c][2,6]naphthyridine-8-carboxylic acid;5-(3-hydroxypropyl)-3-(2H-tetrazol-5-yl)phenanthridin-6-one;methyl 5-anilinobenzo[c][2,6]naphthyridine-8-carboxylate;N-phenyl-8-(2H-tetrazol-5-yl)benzo[c][2,6]naphthyridin-5-amine (CID 159367588) is 5-[2-(dimethylamino)ethylamino]benzo[c][2,6]naphthyridine-8-carboxylic acid;5-(3-hydroxypropyl)-3-(2H-tetrazol-5-yl)phenanthridin-6-one;methyl 5-anilinobenzo[c][2,6]naphthyridine-8-carboxylate;N-phenyl-8-(2H-tetrazol-5-yl)benzo[c][2,6]naphthyridin-5-amine.
What is the SMILES notation for 5-[2-(dimethylamino)ethylamino]benzo[c][2,6]naphthyridine-8-carboxylic acid;5-(3-hydroxypropyl)-3-(2H-tetrazol-5-yl)phenanthridin-6-one;methyl 5-anilinobenzo[c][2,6]naphthyridine-8-carboxylate;N-phenyl-8-(2H-tetrazol-5-yl)benzo[c][2,6]naphthyridin-5-amine?
The canonical SMILES for 5-[2-(dimethylamino)ethylamino]benzo[c][2,6]naphthyridine-8-carboxylic acid;5-(3-hydroxypropyl)-3-(2H-tetrazol-5-yl)phenanthridin-6-one;methyl 5-anilinobenzo[c][2,6]naphthyridine-8-carboxylate;N-phenyl-8-(2H-tetrazol-5-yl)benzo[c][2,6]naphthyridin-5-amine is CN(C)CCNc1nc2cc(C(=O)O)ccc2c2cnccc12.COC(=O)c1ccc2c(c1)nc(Nc1ccccc1)c1ccncc12.O=c1c2ccccc2c2ccc(-c3nn[nH]n3)cc2n1CCCO.c1ccc(Nc2nc3cc(-c4nn[nH]n4)ccc3c3cnccc23)cc1.
What is the InChIKey of 5-[2-(dimethylamino)ethylamino]benzo[c][2,6]naphthyridine-8-carboxylic acid;5-(3-hydroxypropyl)-3-(2H-tetrazol-5-yl)phenanthridin-6-one;methyl 5-anilinobenzo[c][2,6]naphthyridine-8-carboxylate;N-phenyl-8-(2H-tetrazol-5-yl)benzo[c][2,6]naphthyridin-5-amine?
The InChIKey is LJICYZBWXZUESP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H15N3O2.C19H13N7.C17H15N5O2.C17H18N4O2/c1-25-20(24)13-7-8-15-17-12-21-10-9-16(17)19(23-18(15)11-13)22-14-5-3-2-4-6-14;1-2-4-13(5-3-1)21-19-15-8-9-20-11-16(15)14-7-6-12(10-17(14)22-19)18-23-25-26-24-18;23-9-3-8-22-15-10-11(16-18-20-21-19-16)6-7-13(15)12-4-1-2-5-14(12)17(22)24;1-21(2)8-7-19-16-13-5-6-18-10-14(13)12-4-3-11(17(22)23)9-15(12)20-16/h2-12H,1H3,(H,22,23);1-11H,(H,21,22)(H,23,24,25,26);1-2,4-7,10,23H,3,8-9H2,(H,18,19,20,21);3-6,9-10H,7-8H2,1-2H3,(H,19,20)(H,22,23).
What are the key properties of 5-[2-(dimethylamino)ethylamino]benzo[c][2,6]naphthyridine-8-carboxylic acid;5-(3-hydroxypropyl)-3-(2H-tetrazol-5-yl)phenanthridin-6-one;methyl 5-anilinobenzo[c][2,6]naphthyridine-8-carboxylate;N-phenyl-8-(2H-tetrazol-5-yl)benzo[c][2,6]naphthyridin-5-amine?
5-[2-(dimethylamino)ethylamino]benzo[c][2,6]naphthyridine-8-carboxylic acid;5-(3-hydroxypropyl)-3-(2H-tetrazol-5-yl)phenanthridin-6-one;methyl 5-anilinobenzo[c][2,6]naphthyridine-8-carboxylate;N-phenyl-8-(2H-tetrazol-5-yl)benzo[c][2,6]naphthyridin-5-amine has a molecular weight of 1300.42 g/mol, XLogP of 12.19, 15 rotatable bonds, 7 hydrogen bond donors, and 22 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-(dimethylamino)ethylamino]benzo[c][2,6]naphthyridine-8-carboxylic acid;5-(3-hydroxypropyl)-3-(2H-tetrazol-5-yl)phenanthridin-6-one;methyl 5-anilinobenzo[c][2,6]naphthyridine-8-carboxylate;N-phenyl-8-(2H-tetrazol-5-yl)benzo[c][2,6]naphthyridin-5-amine is sourced from PubChem (CID 159367588), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).