2-[(3-chloroquinolin-6-yl)methyl]-N-[(2,4-dimethyl-5,6,7,8-tetrahydro-1,8-naphthyridin-3-yl)methyl]pyridine-4-carboxamide;2-[(3-chloroquinolin-6-yl)methyl]pyridine-4-carboxylic acid;(2,4-dimethyl-5,6,7,8-tetrahydro-1,8-naphthyridin-3-yl)methanamine;methane

C55H58Cl2N10O3 — CID 159823886

IUPAC2-[(3-chloroquinolin-6-yl)methyl]-N-[(2,4-dimethyl-5,6,7,8-tetrahydro-1,8-naphthyridin-3-yl)methyl]pyridine-4-carboxamide;2-[(3-chloroquinolin-6-yl)methyl]pyridine-4-carboxylic acid;(2,4-dimethyl-5,6,7,8-tetrahydro-1,8-naphthyridin-3-yl)methanamine;methane
SMILESC.Cc1nc2c(c(C)c1CN)CCCN2.Cc1nc2c(c(C)c1CNC(=O)c1ccnc(Cc3ccc4ncc(Cl)cc4c3)c1)CCCN2.O=C(O)c1ccnc(Cc2ccc3ncc(Cl)cc3c2)c1
InChIInChI=1S/C27H26ClN5O.C16H11ClN2O2.C11H17N3.CH4/c1-16-23-4-3-8-30-26(23)33-17(2)24(16)15-32-27(34)19-7-9-29-22(13-19)11-18-5-6-25-20(10-18)12-21(28)14-31-25;17-13-7-12-5-10(1-2-15(12)19-9-13)6-14-8-11(16(20)21)3-4-18-14;1-7-9-4-3-5-13-11(9)14-8(2)10(7)6-12;/h5-7,9-10,12-14H,3-4,8,11,15H2,1-2H3,(H,30,33)(H,32,34);1-5,7-9H,6H2,(H,20,21);3-6,12H2,1-2H3,(H,13,14);1H4
InChIKeyNMOVOWBBKROMJY-UHFFFAOYSA-N
MW978.04 g/mol
LogP10.90
Rot. Bonds9

About 2-[(3-chloroquinolin-6-yl)methyl]-N-[(2,4-dimethyl-5,6,7,8-tetrahydro-1,8-naphthyridin-3-yl)methyl]pyridine-4-carboxamide;2-[(3-chloroquinolin-6-yl)methyl]pyridine-4-carboxylic acid;(2,4-dimethyl-5,6,7,8-tetrahydro-1,8-naphthyridin-3-yl)methanamine;methane

2-[(3-chloroquinolin-6-yl)methyl]-N-[(2,4-dimethyl-5,6,7,8-tetrahydro-1,8-naphthyridin-3-yl)methyl]pyridine-4-carboxamide;2-[(3-chloroquinolin-6-yl)methyl]pyridine-4-carboxylic acid;(2,4-dimethyl-5,6,7,8-tetrahydro-1,8-naphthyridin-3-yl)methanamine;methane (PubChem CID 159823886) has the molecular formula C55H58Cl2N10O3 and a molecular weight of 978.04 g/mol. Its IUPAC name is 2-[(3-chloroquinolin-6-yl)methyl]-N-[(2,4-dimethyl-5,6,7,8-tetrahydro-1,8-naphthyridin-3-yl)methyl]pyridine-4-carboxamide;2-[(3-chloroquinolin-6-yl)methyl]pyridine-4-carboxylic acid;(2,4-dimethyl-5,6,7,8-tetrahydro-1,8-naphthyridin-3-yl)methanamine;methane.

Molecular Properties

Compound Name2-[(3-chloroquinolin-6-yl)methyl]-N-[(2,4-dimethyl-5,6,7,8-tetrahydro-1,8-naphthyridin-3-yl)methyl]pyridine-4-carboxamide;2-[(3-chloroquinolin-6-yl)methyl]pyridine-4-carboxylic acid;(2,4-dimethyl-5,6,7,8-tetrahydro-1,8-naphthyridin-3-yl)methanamine;methane
PubChem CID159823886
Molecular FormulaC55H58Cl2N10O3
Molecular Weight978.04 g/mol
Exact Mass976.41
IUPAC Name2-[(3-chloroquinolin-6-yl)methyl]-N-[(2,4-dimethyl-5,6,7,8-tetrahydro-1,8-naphthyridin-3-yl)methyl]pyridine-4-carboxamide;2-[(3-chloroquinolin-6-yl)methyl]pyridine-4-carboxylic acid;(2,4-dimethyl-5,6,7,8-tetrahydro-1,8-naphthyridin-3-yl)methanamine;methane
SMILESC.Cc1nc2c(c(C)c1CN)CCCN2.Cc1nc2c(c(C)c1CNC(=O)c1ccnc(Cc3ccc4ncc(Cl)cc4c3)c1)CCCN2.O=C(O)c1ccnc(Cc2ccc3ncc(Cl)cc3c2)c1
InChIInChI=1S/C27H26ClN5O.C16H11ClN2O2.C11H17N3.CH4/c1-16-23-4-3-8-30-26(23)33-17(2)24(16)15-32-27(34)19-7-9-29-22(13-19)11-18-5-6-25-20(10-18)12-21(28)14-31-25;17-13-7-12-5-10(1-2-15(12)19-9-13)6-14-8-11(16(20)21)3-4-18-14;1-7-9-4-3-5-13-11(9)14-8(2)10(7)6-12;/h5-7,9-10,12-14H,3-4,8,11,15H2,1-2H3,(H,30,33)(H,32,34);1-5,7-9H,6H2,(H,20,21);3-6,12H2,1-2H3,(H,13,14);1H4
InChIKeyNMOVOWBBKROMJY-UHFFFAOYSA-N
XLogP10.90
TPSA193.82 Ų
H-Bond Donors5
H-Bond Acceptors11
Rotatable Bonds9
Heavy Atoms70
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500978.04
LogP ≤ 510.90
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 1011

Analyze 2-[(3-chloroquinolin-6-yl)methyl]-N-[(2,4-dimethyl-5,6,7,8-tetrahydro-1,8-naphthyridin-3-yl)methyl]pyridine-4-carboxamide;2-[(3-chloroquinolin-6-yl)methyl]pyridine-4-carboxylic acid;(2,4-dimethyl-5,6,7,8-tetrahydro-1,8-naphthyridin-3-yl)methanamine;methane with MolForge

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Related Compounds

Silmitasertib
CID 24748573
5-[(4-Chlorophenyl)amino]benzo[c]2,6-naphthyridine-8-carboxylic acid
CID 50942446
5-(3-Chlorophenylamino)benzo[c][2,6]naphthyridine-7-carboxylic acid
CID 50941395
5-(3-Chloroanilino)benzo[c][2,6]naphthyridine-9-carboxylic acid
CID 50941397
5-(2-Chloroanilino)benzo[c][2,6]naphthyridine-8-carboxylic acid
CID 50942444
5-[2-(3-Chlorophenyl)ethylamino]benzo[c][2,6]naphthyridine-8-carboxylic acid
CID 57664131
3-((3-(3-Ethylureido)-5-(2-methylpyridin-4-yl)isoquinolin-8-yl)amino)benzoic acid
CID 67450151
4-[[5-(3-Chloroanilino)benzo[c][2,6]naphthyridine-8-carbonyl]amino]butanoic acid
CID 156861573
5-(3-Chloroanilino)-7-methylbenzo[c][2,6]naphthyridine-8-carboxylic acid
CID 50941394
5-(3-Chloroanilino)-9-methylbenzo[c][2,6]naphthyridine-8-carboxylic acid
CID 50941396
5-(3-Chloroanilino)benzo[c][2,7]naphthyridine-8-carboxylic acid
CID 50942728
5-(3-Chloroanilino)benzo[h][1,6]naphthyridine-8-carboxylic acid
CID 50942729

Frequently Asked Questions

What is the IUPAC name of 2-[(3-chloroquinolin-6-yl)methyl]-N-[(2,4-dimethyl-5,6,7,8-tetrahydro-1,8-naphthyridin-3-yl)methyl]pyridine-4-carboxamide;2-[(3-chloroquinolin-6-yl)methyl]pyridine-4-carboxylic acid;(2,4-dimethyl-5,6,7,8-tetrahydro-1,8-naphthyridin-3-yl)methanamine;methane?
The IUPAC name of 2-[(3-chloroquinolin-6-yl)methyl]-N-[(2,4-dimethyl-5,6,7,8-tetrahydro-1,8-naphthyridin-3-yl)methyl]pyridine-4-carboxamide;2-[(3-chloroquinolin-6-yl)methyl]pyridine-4-carboxylic acid;(2,4-dimethyl-5,6,7,8-tetrahydro-1,8-naphthyridin-3-yl)methanamine;methane (CID 159823886) is 2-[(3-chloroquinolin-6-yl)methyl]-N-[(2,4-dimethyl-5,6,7,8-tetrahydro-1,8-naphthyridin-3-yl)methyl]pyridine-4-carboxamide;2-[(3-chloroquinolin-6-yl)methyl]pyridine-4-carboxylic acid;(2,4-dimethyl-5,6,7,8-tetrahydro-1,8-naphthyridin-3-yl)methanamine;methane.
What is the SMILES notation for 2-[(3-chloroquinolin-6-yl)methyl]-N-[(2,4-dimethyl-5,6,7,8-tetrahydro-1,8-naphthyridin-3-yl)methyl]pyridine-4-carboxamide;2-[(3-chloroquinolin-6-yl)methyl]pyridine-4-carboxylic acid;(2,4-dimethyl-5,6,7,8-tetrahydro-1,8-naphthyridin-3-yl)methanamine;methane?
The canonical SMILES for 2-[(3-chloroquinolin-6-yl)methyl]-N-[(2,4-dimethyl-5,6,7,8-tetrahydro-1,8-naphthyridin-3-yl)methyl]pyridine-4-carboxamide;2-[(3-chloroquinolin-6-yl)methyl]pyridine-4-carboxylic acid;(2,4-dimethyl-5,6,7,8-tetrahydro-1,8-naphthyridin-3-yl)methanamine;methane is C.Cc1nc2c(c(C)c1CN)CCCN2.Cc1nc2c(c(C)c1CNC(=O)c1ccnc(Cc3ccc4ncc(Cl)cc4c3)c1)CCCN2.O=C(O)c1ccnc(Cc2ccc3ncc(Cl)cc3c2)c1.
What is the InChIKey of 2-[(3-chloroquinolin-6-yl)methyl]-N-[(2,4-dimethyl-5,6,7,8-tetrahydro-1,8-naphthyridin-3-yl)methyl]pyridine-4-carboxamide;2-[(3-chloroquinolin-6-yl)methyl]pyridine-4-carboxylic acid;(2,4-dimethyl-5,6,7,8-tetrahydro-1,8-naphthyridin-3-yl)methanamine;methane?
The InChIKey is NMOVOWBBKROMJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H26ClN5O.C16H11ClN2O2.C11H17N3.CH4/c1-16-23-4-3-8-30-26(23)33-17(2)24(16)15-32-27(34)19-7-9-29-22(13-19)11-18-5-6-25-20(10-18)12-21(28)14-31-25;17-13-7-12-5-10(1-2-15(12)19-9-13)6-14-8-11(16(20)21)3-4-18-14;1-7-9-4-3-5-13-11(9)14-8(2)10(7)6-12;/h5-7,9-10,12-14H,3-4,8,11,15H2,1-2H3,(H,30,33)(H,32,34);1-5,7-9H,6H2,(H,20,21);3-6,12H2,1-2H3,(H,13,14);1H4.
What are the key properties of 2-[(3-chloroquinolin-6-yl)methyl]-N-[(2,4-dimethyl-5,6,7,8-tetrahydro-1,8-naphthyridin-3-yl)methyl]pyridine-4-carboxamide;2-[(3-chloroquinolin-6-yl)methyl]pyridine-4-carboxylic acid;(2,4-dimethyl-5,6,7,8-tetrahydro-1,8-naphthyridin-3-yl)methanamine;methane?
2-[(3-chloroquinolin-6-yl)methyl]-N-[(2,4-dimethyl-5,6,7,8-tetrahydro-1,8-naphthyridin-3-yl)methyl]pyridine-4-carboxamide;2-[(3-chloroquinolin-6-yl)methyl]pyridine-4-carboxylic acid;(2,4-dimethyl-5,6,7,8-tetrahydro-1,8-naphthyridin-3-yl)methanamine;methane has a molecular weight of 978.04 g/mol, XLogP of 10.90, 9 rotatable bonds, 5 hydrogen bond donors, and 11 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-chloroquinolin-6-yl)methyl]-N-[(2,4-dimethyl-5,6,7,8-tetrahydro-1,8-naphthyridin-3-yl)methyl]pyridine-4-carboxamide;2-[(3-chloroquinolin-6-yl)methyl]pyridine-4-carboxylic acid;(2,4-dimethyl-5,6,7,8-tetrahydro-1,8-naphthyridin-3-yl)methanamine;methane is sourced from PubChem (CID 159823886), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).