N-[2-(4-aminobutoxy)ethyl]-8-(2H-tetrazol-5-yl)benzo[c][2,6]naphthyridin-5-amine

C19H22N8O — CID 171065909

IUPACN-[2-(4-aminobutoxy)ethyl]-8-(2H-tetrazol-5-yl)benzo[c][2,6]naphthyridin-5-amine
SMILESNCCCCOCCNc1nc2cc(-c3nn[nH]n3)ccc2c2cnccc12
InChIInChI=1S/C19H22N8O/c20-6-1-2-9-28-10-8-22-19-15-5-7-21-12-16(15)14-4-3-13(11-17(14)23-19)18-24-26-27-25-18/h3-5,7,11-12H,1-2,6,8-10,20H2,(H,22,23)(H,24,25,26,27)
InChIKeyXBCSIEXOTHLURS-UHFFFAOYSA-N
MW378.44 g/mol
LogP2.13
Rot. Bonds9

About N-[2-(4-aminobutoxy)ethyl]-8-(2H-tetrazol-5-yl)benzo[c][2,6]naphthyridin-5-amine

N-[2-(4-aminobutoxy)ethyl]-8-(2H-tetrazol-5-yl)benzo[c][2,6]naphthyridin-5-amine (PubChem CID 171065909) has the molecular formula C19H22N8O and a molecular weight of 378.44 g/mol. Its IUPAC name is N-[2-(4-aminobutoxy)ethyl]-8-(2H-tetrazol-5-yl)benzo[c][2,6]naphthyridin-5-amine.

Molecular Properties

Compound NameN-[2-(4-aminobutoxy)ethyl]-8-(2H-tetrazol-5-yl)benzo[c][2,6]naphthyridin-5-amine
PubChem CID171065909
Molecular FormulaC19H22N8O
Molecular Weight378.44 g/mol
Exact Mass378.19
IUPAC NameN-[2-(4-aminobutoxy)ethyl]-8-(2H-tetrazol-5-yl)benzo[c][2,6]naphthyridin-5-amine
SMILESNCCCCOCCNc1nc2cc(-c3nn[nH]n3)ccc2c2cnccc12
InChIInChI=1S/C19H22N8O/c20-6-1-2-9-28-10-8-22-19-15-5-7-21-12-16(15)14-4-3-13(11-17(14)23-19)18-24-26-27-25-18/h3-5,7,11-12H,1-2,6,8-10,20H2,(H,22,23)(H,24,25,26,27)
InChIKeyXBCSIEXOTHLURS-UHFFFAOYSA-N
XLogP2.13
TPSA127.52 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds9
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.44
LogP ≤ 52.13
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

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Related Compounds

N-[2-[4-[[3-chloro-4-(trifluoromethoxy)phenyl]methylamino]butoxy]ethyl]-8-(2H-tetrazol-5-yl)benzo[c][2,6]naphthyridin-5-amine
CID 171065946
3-[(3-chloro-4-cyclobutyloxyphenyl)methylamino]-N-[3-[[8-(2H-tetrazol-5-yl)benzo[c][2,6]naphthyridin-5-yl]amino]propyl]propanamide
CID 171066441
5-[2-(4-aminobutoxy)ethoxy]benzo[c][2,6]naphthyridine-8-carboxamide
CID 164915016
5-[3-(3-aminopropanoylamino)propylamino]benzo[c][2,6]naphthyridine-8-carboxamide
CID 171066209
5-[2-[(4S)-4-[(3-chlorophenyl)methylamino]pentoxy]ethylamino]benzo[c][2,6]naphthyridine-8-carboxamide
CID 171066325
5-[2-[4-[(3-chloro-4-cyclopropylphenyl)methylamino]butoxy]ethylamino]benzo[c][2,6]naphthyridine-8-carboxylic acid
CID 164915163
methyl 5-[2-[3-(2-aminoethyl)phenyl]ethylamino]benzo[c][2,6]naphthyridine-8-carboxylate
CID 171066233
N-[2-[4-[[3-fluoro-4-(trifluoromethoxy)phenyl]methylamino]butoxy]ethyl]benzo[c][2,6]naphthyridin-5-amine
CID 175921241
5-[2-[4-[(5-phenyl-1,3-thiazol-2-yl)methylamino]butylamino]ethylamino]benzo[c][2,6]naphthyridine-8-carboxamide
CID 171066521
N',N'-dimethyl-N-[8-(4H-triazol-5-yl)benzo[c][2,6]naphthyridin-5-yl]ethane-1,2-diamine
CID 58485237
5-[[1-[4-[[3-chloro-4-(trifluoromethoxy)phenyl]methylamino]butoxy]-2-methylpropan-2-yl]amino]benzo[c][2,6]naphthyridine-8-carboxamide
CID 164915294
5-[2-[4-[(3-chloro-4-pyrazin-2-ylphenyl)methylamino]butylamino]ethylamino]benzo[c][2,6]naphthyridine-8-carboxamide
CID 171065994

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-aminobutoxy)ethyl]-8-(2H-tetrazol-5-yl)benzo[c][2,6]naphthyridin-5-amine?
The IUPAC name of N-[2-(4-aminobutoxy)ethyl]-8-(2H-tetrazol-5-yl)benzo[c][2,6]naphthyridin-5-amine (CID 171065909) is N-[2-(4-aminobutoxy)ethyl]-8-(2H-tetrazol-5-yl)benzo[c][2,6]naphthyridin-5-amine.
What is the SMILES notation for N-[2-(4-aminobutoxy)ethyl]-8-(2H-tetrazol-5-yl)benzo[c][2,6]naphthyridin-5-amine?
The canonical SMILES for N-[2-(4-aminobutoxy)ethyl]-8-(2H-tetrazol-5-yl)benzo[c][2,6]naphthyridin-5-amine is NCCCCOCCNc1nc2cc(-c3nn[nH]n3)ccc2c2cnccc12.
What is the InChIKey of N-[2-(4-aminobutoxy)ethyl]-8-(2H-tetrazol-5-yl)benzo[c][2,6]naphthyridin-5-amine?
The InChIKey is XBCSIEXOTHLURS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N8O/c20-6-1-2-9-28-10-8-22-19-15-5-7-21-12-16(15)14-4-3-13(11-17(14)23-19)18-24-26-27-25-18/h3-5,7,11-12H,1-2,6,8-10,20H2,(H,22,23)(H,24,25,26,27).
What are the key properties of N-[2-(4-aminobutoxy)ethyl]-8-(2H-tetrazol-5-yl)benzo[c][2,6]naphthyridin-5-amine?
N-[2-(4-aminobutoxy)ethyl]-8-(2H-tetrazol-5-yl)benzo[c][2,6]naphthyridin-5-amine has a molecular weight of 378.44 g/mol, XLogP of 2.13, 9 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-aminobutoxy)ethyl]-8-(2H-tetrazol-5-yl)benzo[c][2,6]naphthyridin-5-amine is sourced from PubChem (CID 171065909), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).