N-[4,5-dimethoxy-2-(methylcarbamoyl)phenyl]quinoline-3-carboxamide

C20H19N3O4 — CID 142827920

IUPACN-[4,5-dimethoxy-2-(methylcarbamoyl)phenyl]quinoline-3-carboxamide
SMILESCNC(=O)c1cc(OC)c(OC)cc1NC(=O)c1cnc2ccccc2c1
InChIInChI=1S/C20H19N3O4/c1-21-20(25)14-9-17(26-2)18(27-3)10-16(14)23-19(24)13-8-12-6-4-5-7-15(12)22-11-13/h4-11H,1-3H3,(H,21,25)(H,23,24)
InChIKeyDSGVGKBTITZQEP-UHFFFAOYSA-N
MW365.39 g/mol
LogP2.86
Rot. Bonds5

About N-[4,5-dimethoxy-2-(methylcarbamoyl)phenyl]quinoline-3-carboxamide

N-[4,5-dimethoxy-2-(methylcarbamoyl)phenyl]quinoline-3-carboxamide (PubChem CID 142827920) has the molecular formula C20H19N3O4 and a molecular weight of 365.39 g/mol. Its IUPAC name is N-[4,5-dimethoxy-2-(methylcarbamoyl)phenyl]quinoline-3-carboxamide.

Molecular Properties

Compound NameN-[4,5-dimethoxy-2-(methylcarbamoyl)phenyl]quinoline-3-carboxamide
PubChem CID142827920
Molecular FormulaC20H19N3O4
Molecular Weight365.39 g/mol
Exact Mass365.14
IUPAC NameN-[4,5-dimethoxy-2-(methylcarbamoyl)phenyl]quinoline-3-carboxamide
SMILESCNC(=O)c1cc(OC)c(OC)cc1NC(=O)c1cnc2ccccc2c1
InChIInChI=1S/C20H19N3O4/c1-21-20(25)14-9-17(26-2)18(27-3)10-16(14)23-19(24)13-8-12-6-4-5-7-15(12)22-11-13/h4-11H,1-3H3,(H,21,25)(H,23,24)
InChIKeyDSGVGKBTITZQEP-UHFFFAOYSA-N
XLogP2.86
TPSA89.55 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.39
LogP ≤ 52.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-[(4-fluorobenzoyl)amino]-4,5-dimethoxy-N-methylbenzamide
CID 34366934
N-(2-iodophenyl)quinoline-3-carboxamide
CID 139568501
2,4,5-trimethoxy-N-quinolin-3-ylbenzamide
CID 18146468
N-(6-formyl-2,3-dimethoxyphenyl)quinoline-3-carboxamide
CID 91563363
N-[2-[[4-[2-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)ethyl]phenyl]carbamoyl]-4,5-dimethoxyphenyl]quinoline-3-carboxamide;methanesulfonic acid;hydrate
CID 167995906
N-[2-[[4-[2-(6-hydroxy-7-methoxy-3,4-dihydro-1H-isoquinolin-2-yl)ethyl]phenyl]carbamoyl]-4,5-dimethoxyphenyl]quinoline-3-carboxamide
CID 121256122
N-[2-[[4-[2-(6,7-dimethoxy-3,4-dihydro-1H-[1]benzofuro[2,3-c]pyridin-2-yl)-2-oxoethyl]phenyl]carbamoyl]-4,5-dimethoxyphenyl]quinoline-3-carboxamide
CID 175541089
N-[3-(quinoline-3-carbonylamino)phenyl]quinoline-3-carboxamide
CID 171577203
N-quinoxalin-2-ylquinoline-3-carboxamide
CID 11522282
N-(4-hydroxyphenyl)quinoline-3-carboxamide
CID 110489513
N-[2-[[4-[2-[ethyl-[(3-imidazol-1-ylphenyl)methyl]amino]ethyl]phenyl]carbamoyl]-4,5-dimethoxyphenyl]quinoline-3-carboxamide
CID 169005751
N-(3-acetylphenyl)quinoline-3-carboxamide
CID 110694820

Frequently Asked Questions

What is the IUPAC name of N-[4,5-dimethoxy-2-(methylcarbamoyl)phenyl]quinoline-3-carboxamide?
The IUPAC name of N-[4,5-dimethoxy-2-(methylcarbamoyl)phenyl]quinoline-3-carboxamide (CID 142827920) is N-[4,5-dimethoxy-2-(methylcarbamoyl)phenyl]quinoline-3-carboxamide.
What is the SMILES notation for N-[4,5-dimethoxy-2-(methylcarbamoyl)phenyl]quinoline-3-carboxamide?
The canonical SMILES for N-[4,5-dimethoxy-2-(methylcarbamoyl)phenyl]quinoline-3-carboxamide is CNC(=O)c1cc(OC)c(OC)cc1NC(=O)c1cnc2ccccc2c1.
What is the InChIKey of N-[4,5-dimethoxy-2-(methylcarbamoyl)phenyl]quinoline-3-carboxamide?
The InChIKey is DSGVGKBTITZQEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19N3O4/c1-21-20(25)14-9-17(26-2)18(27-3)10-16(14)23-19(24)13-8-12-6-4-5-7-15(12)22-11-13/h4-11H,1-3H3,(H,21,25)(H,23,24).
What are the key properties of N-[4,5-dimethoxy-2-(methylcarbamoyl)phenyl]quinoline-3-carboxamide?
N-[4,5-dimethoxy-2-(methylcarbamoyl)phenyl]quinoline-3-carboxamide has a molecular weight of 365.39 g/mol, XLogP of 2.86, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4,5-dimethoxy-2-(methylcarbamoyl)phenyl]quinoline-3-carboxamide is sourced from PubChem (CID 142827920), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).