7,8-dichloro-10-oxo-2,3,4,5-tetrahydro-1H-benzo[b][1,6]naphthyridine-4-carboxamide

C13H11Cl2N3O2 — CID 71035290

IUPAC7,8-dichloro-10-oxo-2,3,4,5-tetrahydro-1H-benzo[b][1,6]naphthyridine-4-carboxamide
SMILESNC(=O)C1CNCc2c1[nH]c1cc(Cl)c(Cl)cc1c2=O
InChIInChI=1S/C13H11Cl2N3O2/c14-8-1-5-10(2-9(8)15)18-11-6(12(5)19)3-17-4-7(11)13(16)20/h1-2,7,17H,3-4H2,(H2,16,20)(H,18,19)
InChIKeyWVQYWLURLPEAMD-UHFFFAOYSA-N
MW312.16 g/mol
LogP1.51
Rot. Bonds1

About 7,8-dichloro-10-oxo-2,3,4,5-tetrahydro-1H-benzo[b][1,6]naphthyridine-4-carboxamide

7,8-dichloro-10-oxo-2,3,4,5-tetrahydro-1H-benzo[b][1,6]naphthyridine-4-carboxamide (PubChem CID 71035290) has the molecular formula C13H11Cl2N3O2 and a molecular weight of 312.16 g/mol. Its IUPAC name is 7,8-dichloro-10-oxo-2,3,4,5-tetrahydro-1H-benzo[b][1,6]naphthyridine-4-carboxamide.

Molecular Properties

Compound Name7,8-dichloro-10-oxo-2,3,4,5-tetrahydro-1H-benzo[b][1,6]naphthyridine-4-carboxamide
PubChem CID71035290
Molecular FormulaC13H11Cl2N3O2
Molecular Weight312.16 g/mol
Exact Mass311.02
IUPAC Name7,8-dichloro-10-oxo-2,3,4,5-tetrahydro-1H-benzo[b][1,6]naphthyridine-4-carboxamide
SMILESNC(=O)C1CNCc2c1[nH]c1cc(Cl)c(Cl)cc1c2=O
InChIInChI=1S/C13H11Cl2N3O2/c14-8-1-5-10(2-9(8)15)18-11-6(12(5)19)3-17-4-7(11)13(16)20/h1-2,7,17H,3-4H2,(H2,16,20)(H,18,19)
InChIKeyWVQYWLURLPEAMD-UHFFFAOYSA-N
XLogP1.51
TPSA87.98 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.16
LogP ≤ 51.51
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Analyze 7,8-dichloro-10-oxo-2,3,4,5-tetrahydro-1H-benzo[b][1,6]naphthyridine-4-carboxamide with MolForge

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Related Compounds

2-[[2-(4-Chlorophenyl)-2-oxoethyl]amino]benzamide
CID 2796987
2-(3-(3,4-dichlorobenzylamino)propylamino)quinolin-4(1H)-one
CID 9822999
2-[[(1R,2R)-2-[(3,4-dichlorophenyl)methylamino]cyclobutyl]methylamino]-1H-quinolin-4-one
CID 44458726
2-[[(1R,2S)-2-[(3,4-dichlorophenyl)methylamino]cyclobutyl]methylamino]-1H-quinolin-4-one
CID 44458765
7-Chloro-2,3-dihydro-4-quinolone
CID 88974
3,4-Dichloro-N-[3-(4-oxo-1,4-dihydro-quinolin-2-ylamino)-propyl]-benzamide
CID 44373431
2-[[5-[(3,4-dichlorophenyl)methylamino]cyclopenten-1-yl]methylamino]-1H-quinolin-4-one
CID 44458748
6-chloro-2-[3-[(3,4-dichlorophenyl)methylamino]propylamino]-1H-quinolin-4-one;hydrochloride
CID 44533530
7-chloro-2-[3-[(3,4-dichlorophenyl)methylamino]propylamino]-1H-quinolin-4-one;hydrochloride
CID 44533532
(E)-3-(3,4-dichlorophenyl)-N-[2,2-dimethyl-3-[(4-oxo-1H-quinolin-2-yl)amino]propyl]prop-2-enamide
CID 44533536
6,7-dichloro-2-methyl-3-phenyl-1H-quinolin-4-one
CID 49781904
6,7-dichloro-2,3,4,10-tetrahydro-1H-acridin-9-one
CID 53362431

Frequently Asked Questions

What is the IUPAC name of 7,8-dichloro-10-oxo-2,3,4,5-tetrahydro-1H-benzo[b][1,6]naphthyridine-4-carboxamide?
The IUPAC name of 7,8-dichloro-10-oxo-2,3,4,5-tetrahydro-1H-benzo[b][1,6]naphthyridine-4-carboxamide (CID 71035290) is 7,8-dichloro-10-oxo-2,3,4,5-tetrahydro-1H-benzo[b][1,6]naphthyridine-4-carboxamide.
What is the SMILES notation for 7,8-dichloro-10-oxo-2,3,4,5-tetrahydro-1H-benzo[b][1,6]naphthyridine-4-carboxamide?
The canonical SMILES for 7,8-dichloro-10-oxo-2,3,4,5-tetrahydro-1H-benzo[b][1,6]naphthyridine-4-carboxamide is NC(=O)C1CNCc2c1[nH]c1cc(Cl)c(Cl)cc1c2=O.
What is the InChIKey of 7,8-dichloro-10-oxo-2,3,4,5-tetrahydro-1H-benzo[b][1,6]naphthyridine-4-carboxamide?
The InChIKey is WVQYWLURLPEAMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11Cl2N3O2/c14-8-1-5-10(2-9(8)15)18-11-6(12(5)19)3-17-4-7(11)13(16)20/h1-2,7,17H,3-4H2,(H2,16,20)(H,18,19).
What are the key properties of 7,8-dichloro-10-oxo-2,3,4,5-tetrahydro-1H-benzo[b][1,6]naphthyridine-4-carboxamide?
7,8-dichloro-10-oxo-2,3,4,5-tetrahydro-1H-benzo[b][1,6]naphthyridine-4-carboxamide has a molecular weight of 312.16 g/mol, XLogP of 1.51, 1 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7,8-dichloro-10-oxo-2,3,4,5-tetrahydro-1H-benzo[b][1,6]naphthyridine-4-carboxamide is sourced from PubChem (CID 71035290), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).