2-[3-(anilinomethyl)-7-methoxy-2-oxoquinolin-1-yl]acetamide

C19H19N3O3 — CID 20922056

IUPAC2-[3-(anilinomethyl)-7-methoxy-2-oxoquinolin-1-yl]acetamide
SMILESCOc1ccc2cc(CNc3ccccc3)c(=O)n(CC(N)=O)c2c1
InChIInChI=1S/C19H19N3O3/c1-25-16-8-7-13-9-14(11-21-15-5-3-2-4-6-15)19(24)22(12-18(20)23)17(13)10-16/h2-10,21H,11-12H2,1H3,(H2,20,23)
InChIKeyWDHVGLZMJACGMI-UHFFFAOYSA-N
MW337.38 g/mol
LogP2.11
Rot. Bonds6

About 2-[3-(anilinomethyl)-7-methoxy-2-oxoquinolin-1-yl]acetamide

2-[3-(anilinomethyl)-7-methoxy-2-oxoquinolin-1-yl]acetamide (PubChem CID 20922056) has the molecular formula C19H19N3O3 and a molecular weight of 337.38 g/mol. Its IUPAC name is 2-[3-(anilinomethyl)-7-methoxy-2-oxoquinolin-1-yl]acetamide.

Molecular Properties

Compound Name2-[3-(anilinomethyl)-7-methoxy-2-oxoquinolin-1-yl]acetamide
PubChem CID20922056
Molecular FormulaC19H19N3O3
Molecular Weight337.38 g/mol
Exact Mass337.14
IUPAC Name2-[3-(anilinomethyl)-7-methoxy-2-oxoquinolin-1-yl]acetamide
SMILESCOc1ccc2cc(CNc3ccccc3)c(=O)n(CC(N)=O)c2c1
InChIInChI=1S/C19H19N3O3/c1-25-16-8-7-13-9-14(11-21-15-5-3-2-4-6-15)19(24)22(12-18(20)23)17(13)10-16/h2-10,21H,11-12H2,1H3,(H2,20,23)
InChIKeyWDHVGLZMJACGMI-UHFFFAOYSA-N
XLogP2.11
TPSA86.35 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.38
LogP ≤ 52.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-[3-(anilinomethyl)-7-methoxy-2-oxoquinolin-1-yl]-N-(4-methylphenyl)acetamide
CID 16956547
2-[7-methoxy-3-[(4-methylanilino)methyl]-2-oxoquinolin-1-yl]-N-(2-phenylethyl)acetamide
CID 16956575
2-[8-(anilinomethyl)-7-oxo-2,3-dihydro-[1,4]dioxino[2,3-g]quinolin-6-yl]-N-(4-methoxyphenyl)acetamide
CID 18591671
2-[7-methoxy-2-oxo-3-(2-phenylethyl)quinolin-1-yl]-N-(3-methoxyphenyl)acetamide
CID 160535192
2-[3-[(3,4-dimethoxyanilino)methyl]-7-methyl-2-oxoquinolin-1-yl]-N-(4-methoxyphenyl)acetamide
CID 18592297
N-(1,3-benzodioxol-5-yl)-2-[3-[(4-ethylanilino)methyl]-7-methoxy-2-oxoquinolin-1-yl]acetamide
CID 20922034
3-[(4-ethylanilino)methyl]-1-[(4-fluorophenyl)methyl]-7-methoxyquinolin-2-one
CID 75527780
N-(4-ethylphenyl)-2-[7-methoxy-2-oxo-3-(2-phenylethyl)quinolin-1-yl]acetamide
CID 161418456
2-[3-[(4-ethylanilino)methyl]-6,7-dimethoxy-2-oxoquinolin-1-yl]-N-phenylacetamide
CID 18591309
N-(3-chloro-4-methylphenyl)-2-[7-methoxy-2-oxo-3-(2-phenylethyl)quinolin-1-yl]acetamide
CID 157137286
2-[3-(anilinomethyl)-7-methyl-2-oxoquinolin-1-yl]-N-[2-(trifluoromethyl)phenyl]acetamide
CID 20921998
8-(anilinomethyl)-6-[3-(4-ethoxyphenyl)-2-oxopropyl]-2,3-dihydro-[1,4]dioxino[2,3-g]quinolin-7-one
CID 160823930

Frequently Asked Questions

What is the IUPAC name of 2-[3-(anilinomethyl)-7-methoxy-2-oxoquinolin-1-yl]acetamide?
The IUPAC name of 2-[3-(anilinomethyl)-7-methoxy-2-oxoquinolin-1-yl]acetamide (CID 20922056) is 2-[3-(anilinomethyl)-7-methoxy-2-oxoquinolin-1-yl]acetamide.
What is the SMILES notation for 2-[3-(anilinomethyl)-7-methoxy-2-oxoquinolin-1-yl]acetamide?
The canonical SMILES for 2-[3-(anilinomethyl)-7-methoxy-2-oxoquinolin-1-yl]acetamide is COc1ccc2cc(CNc3ccccc3)c(=O)n(CC(N)=O)c2c1.
What is the InChIKey of 2-[3-(anilinomethyl)-7-methoxy-2-oxoquinolin-1-yl]acetamide?
The InChIKey is WDHVGLZMJACGMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19N3O3/c1-25-16-8-7-13-9-14(11-21-15-5-3-2-4-6-15)19(24)22(12-18(20)23)17(13)10-16/h2-10,21H,11-12H2,1H3,(H2,20,23).
What are the key properties of 2-[3-(anilinomethyl)-7-methoxy-2-oxoquinolin-1-yl]acetamide?
2-[3-(anilinomethyl)-7-methoxy-2-oxoquinolin-1-yl]acetamide has a molecular weight of 337.38 g/mol, XLogP of 2.11, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(anilinomethyl)-7-methoxy-2-oxoquinolin-1-yl]acetamide is sourced from PubChem (CID 20922056), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).