N-(3-cyanophenyl)-3-(6,7-dimethoxy-2-oxo-1H-quinolin-3-yl)propanamide

C21H19N3O4 — CID 110299012

IUPACN-(3-cyanophenyl)-3-(6,7-dimethoxy-2-oxo-1H-quinolin-3-yl)propanamide
SMILESCOc1cc2cc(CCC(=O)Nc3cccc(C#N)c3)c(=O)[nH]c2cc1OC
InChIInChI=1S/C21H19N3O4/c1-27-18-10-15-9-14(21(26)24-17(15)11-19(18)28-2)6-7-20(25)23-16-5-3-4-13(8-16)12-22/h3-5,8-11H,6-7H2,1-2H3,(H,23,25)(H,24,26)
InChIKeyDDJJYXVQFAQARA-UHFFFAOYSA-N
MW377.40 g/mol
LogP2.99
Rot. Bonds6

About N-(3-cyanophenyl)-3-(6,7-dimethoxy-2-oxo-1H-quinolin-3-yl)propanamide

N-(3-cyanophenyl)-3-(6,7-dimethoxy-2-oxo-1H-quinolin-3-yl)propanamide (PubChem CID 110299012) has the molecular formula C21H19N3O4 and a molecular weight of 377.40 g/mol. Its IUPAC name is N-(3-cyanophenyl)-3-(6,7-dimethoxy-2-oxo-1H-quinolin-3-yl)propanamide.

Molecular Properties

Compound NameN-(3-cyanophenyl)-3-(6,7-dimethoxy-2-oxo-1H-quinolin-3-yl)propanamide
PubChem CID110299012
Molecular FormulaC21H19N3O4
Molecular Weight377.40 g/mol
Exact Mass377.14
IUPAC NameN-(3-cyanophenyl)-3-(6,7-dimethoxy-2-oxo-1H-quinolin-3-yl)propanamide
SMILESCOc1cc2cc(CCC(=O)Nc3cccc(C#N)c3)c(=O)[nH]c2cc1OC
InChIInChI=1S/C21H19N3O4/c1-27-18-10-15-9-14(21(26)24-17(15)11-19(18)28-2)6-7-20(25)23-16-5-3-4-13(8-16)12-22/h3-5,8-11H,6-7H2,1-2H3,(H,23,25)(H,24,26)
InChIKeyDDJJYXVQFAQARA-UHFFFAOYSA-N
XLogP2.99
TPSA104.21 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.40
LogP ≤ 52.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-(3-cyanophenyl)-3-(6-methyl-2-oxo-1H-quinolin-3-yl)propanamide
CID 110331282
N-(3-cyanophenyl)-3-(6,8-dimethyl-2-oxo-1H-quinolin-3-yl)propanamide
CID 110331601
N-(3-cyanophenyl)-3-(3-methyl-2-oxo-1H-quinolin-6-yl)propanamide
CID 110390170
N-(3-cyanophenyl)-4-(3,4-dimethoxyphenyl)butanamide
CID 110428452
N-(3-methoxyphenyl)-3-(7-oxo-3,6-dihydro-2H-[1,4]dioxino[2,3-g]quinolin-8-yl)propanamide
CID 110331426
N-(3,4-dimethoxyphenyl)-3-(8-methyl-2-oxo-1H-quinolin-3-yl)propanamide
CID 110331152
3-(6,7-dimethoxy-2-oxo-1H-quinolin-3-yl)-N-(2-methylpropyl)propanamide
CID 110298935
3-(6-methyl-2-oxo-1H-quinolin-3-yl)-N-(3-methylphenyl)propanamide
CID 110331249
3-(3-cyanoanilino)-N-(3,4-dimethoxyphenyl)propanamide
CID 109040576
methyl 3-[3-(2-oxo-1H-quinolin-3-yl)propanoylamino]benzoate
CID 110331037
3-(6,7-dimethoxy-2-oxo-1H-quinolin-3-yl)-N-(3-methylbutyl)propanamide
CID 110298971
N-[2-(3-cyanoanilino)-2-oxoethyl]-3-(3,4-dimethoxyphenyl)propanamide
CID 113001935

Frequently Asked Questions

What is the IUPAC name of N-(3-cyanophenyl)-3-(6,7-dimethoxy-2-oxo-1H-quinolin-3-yl)propanamide?
The IUPAC name of N-(3-cyanophenyl)-3-(6,7-dimethoxy-2-oxo-1H-quinolin-3-yl)propanamide (CID 110299012) is N-(3-cyanophenyl)-3-(6,7-dimethoxy-2-oxo-1H-quinolin-3-yl)propanamide.
What is the SMILES notation for N-(3-cyanophenyl)-3-(6,7-dimethoxy-2-oxo-1H-quinolin-3-yl)propanamide?
The canonical SMILES for N-(3-cyanophenyl)-3-(6,7-dimethoxy-2-oxo-1H-quinolin-3-yl)propanamide is COc1cc2cc(CCC(=O)Nc3cccc(C#N)c3)c(=O)[nH]c2cc1OC.
What is the InChIKey of N-(3-cyanophenyl)-3-(6,7-dimethoxy-2-oxo-1H-quinolin-3-yl)propanamide?
The InChIKey is DDJJYXVQFAQARA-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19N3O4/c1-27-18-10-15-9-14(21(26)24-17(15)11-19(18)28-2)6-7-20(25)23-16-5-3-4-13(8-16)12-22/h3-5,8-11H,6-7H2,1-2H3,(H,23,25)(H,24,26).
What are the key properties of N-(3-cyanophenyl)-3-(6,7-dimethoxy-2-oxo-1H-quinolin-3-yl)propanamide?
N-(3-cyanophenyl)-3-(6,7-dimethoxy-2-oxo-1H-quinolin-3-yl)propanamide has a molecular weight of 377.40 g/mol, XLogP of 2.99, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-cyanophenyl)-3-(6,7-dimethoxy-2-oxo-1H-quinolin-3-yl)propanamide is sourced from PubChem (CID 110299012), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).