2-[(3-acetylphenyl)carbamoylamino]-N-quinolin-8-ylacetamide

C20H18N4O3 — CID 52842232

IUPAC2-[(3-acetylphenyl)carbamoylamino]-N-quinolin-8-ylacetamide
SMILESCC(=O)c1cccc(NC(=O)NCC(=O)Nc2cccc3cccnc23)c1
InChIInChI=1S/C20H18N4O3/c1-13(25)15-6-2-8-16(11-15)23-20(27)22-12-18(26)24-17-9-3-5-14-7-4-10-21-19(14)17/h2-11H,12H2,1H3,(H,24,26)(H2,22,23,27)
InChIKeyDQPAUHYXPYUQQG-UHFFFAOYSA-N
MW362.39 g/mol
LogP3.20
Rot. Bonds5

About 2-[(3-acetylphenyl)carbamoylamino]-N-quinolin-8-ylacetamide

2-[(3-acetylphenyl)carbamoylamino]-N-quinolin-8-ylacetamide (PubChem CID 52842232) has the molecular formula C20H18N4O3 and a molecular weight of 362.39 g/mol. Its IUPAC name is 2-[(3-acetylphenyl)carbamoylamino]-N-quinolin-8-ylacetamide.

Molecular Properties

Compound Name2-[(3-acetylphenyl)carbamoylamino]-N-quinolin-8-ylacetamide
PubChem CID52842232
Molecular FormulaC20H18N4O3
Molecular Weight362.39 g/mol
Exact Mass362.14
IUPAC Name2-[(3-acetylphenyl)carbamoylamino]-N-quinolin-8-ylacetamide
SMILESCC(=O)c1cccc(NC(=O)NCC(=O)Nc2cccc3cccnc23)c1
InChIInChI=1S/C20H18N4O3/c1-13(25)15-6-2-8-16(11-15)23-20(27)22-12-18(26)24-17-9-3-5-14-7-4-10-21-19(14)17/h2-11H,12H2,1H3,(H,24,26)(H2,22,23,27)
InChIKeyDQPAUHYXPYUQQG-UHFFFAOYSA-N
XLogP3.20
TPSA100.19 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.39
LogP ≤ 53.20
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 3-[[3-oxo-3-(quinolin-8-ylamino)propanoyl]amino]benzoate
CID 108956340
N-(3-acetylphenyl)-2-(phenylcarbamoylamino)acetamide
CID 18160954
2,2-dimethyl-N-[2-oxo-2-(quinolin-8-ylamino)ethyl]propanamide
CID 17424107
N-(3-acetylphenyl)-2-quinolin-8-yloxyacetamide
CID 2595236
6-(3-acetylanilino)-N-quinolin-8-ylpyridine-3-carboxamide
CID 109164464
4-bromo-N-[2-oxo-2-(quinolin-8-ylamino)ethyl]benzamide
CID 78785378
3,4-difluoro-N-[2-oxo-2-(quinolin-8-ylamino)ethyl]benzamide
CID 113000714
1-propyl-3-quinolin-8-ylurea
CID 13078451
4-amino-N-[2-oxo-2-(quinolin-8-ylamino)ethyl]pentanamide;dihydrochloride
CID 120565209
2-(3-methylphenyl)-N-quinolin-8-ylacetamide
CID 113098821
methyl 4-[[3-oxo-3-(quinolin-8-ylamino)propanoyl]amino]benzoate
CID 108956372
2-(2,5-dimethylanilino)-N-quinolin-8-ylacetamide
CID 109007395

Frequently Asked Questions

What is the IUPAC name of 2-[(3-acetylphenyl)carbamoylamino]-N-quinolin-8-ylacetamide?
The IUPAC name of 2-[(3-acetylphenyl)carbamoylamino]-N-quinolin-8-ylacetamide (CID 52842232) is 2-[(3-acetylphenyl)carbamoylamino]-N-quinolin-8-ylacetamide.
What is the SMILES notation for 2-[(3-acetylphenyl)carbamoylamino]-N-quinolin-8-ylacetamide?
The canonical SMILES for 2-[(3-acetylphenyl)carbamoylamino]-N-quinolin-8-ylacetamide is CC(=O)c1cccc(NC(=O)NCC(=O)Nc2cccc3cccnc23)c1.
What is the InChIKey of 2-[(3-acetylphenyl)carbamoylamino]-N-quinolin-8-ylacetamide?
The InChIKey is DQPAUHYXPYUQQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18N4O3/c1-13(25)15-6-2-8-16(11-15)23-20(27)22-12-18(26)24-17-9-3-5-14-7-4-10-21-19(14)17/h2-11H,12H2,1H3,(H,24,26)(H2,22,23,27).
What are the key properties of 2-[(3-acetylphenyl)carbamoylamino]-N-quinolin-8-ylacetamide?
2-[(3-acetylphenyl)carbamoylamino]-N-quinolin-8-ylacetamide has a molecular weight of 362.39 g/mol, XLogP of 3.20, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-acetylphenyl)carbamoylamino]-N-quinolin-8-ylacetamide is sourced from PubChem (CID 52842232), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).