4-(acetamidomethyl)-N-quinolin-8-ylbenzamide

C19H17N3O2 — CID 18196066

IUPAC4-(acetamidomethyl)-N-quinolin-8-ylbenzamide
SMILESCC(=O)NCc1ccc(C(=O)Nc2cccc3cccnc23)cc1
InChIInChI=1S/C19H17N3O2/c1-13(23)21-12-14-7-9-16(10-8-14)19(24)22-17-6-2-4-15-5-3-11-20-18(15)17/h2-11H,12H2,1H3,(H,21,23)(H,22,24)
InChIKeyLPPBSHWAWHXVBR-UHFFFAOYSA-N
MW319.36 g/mol
LogP3.12
Rot. Bonds4

About 4-(acetamidomethyl)-N-quinolin-8-ylbenzamide

4-(acetamidomethyl)-N-quinolin-8-ylbenzamide (PubChem CID 18196066) has the molecular formula C19H17N3O2 and a molecular weight of 319.36 g/mol. Its IUPAC name is 4-(acetamidomethyl)-N-quinolin-8-ylbenzamide.

Molecular Properties

Compound Name4-(acetamidomethyl)-N-quinolin-8-ylbenzamide
PubChem CID18196066
Molecular FormulaC19H17N3O2
Molecular Weight319.36 g/mol
Exact Mass319.13
IUPAC Name4-(acetamidomethyl)-N-quinolin-8-ylbenzamide
SMILESCC(=O)NCc1ccc(C(=O)Nc2cccc3cccnc23)cc1
InChIInChI=1S/C19H17N3O2/c1-13(23)21-12-14-7-9-16(10-8-14)19(24)22-17-6-2-4-15-5-3-11-20-18(15)17/h2-11H,12H2,1H3,(H,21,23)(H,22,24)
InChIKeyLPPBSHWAWHXVBR-UHFFFAOYSA-N
XLogP3.12
TPSA71.09 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.36
LogP ≤ 53.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-(methylsulfanylmethyl)-N-quinolin-8-ylbenzamide
CID 31289054
2-[(4-methylphenyl)methylamino]-N-quinolin-8-ylpyrimidine-5-carboxamide
CID 109256323
N-methyl-4-[(quinolin-8-ylamino)methyl]benzamide
CID 157391991
1-N-(furan-2-ylmethyl)-4-N-quinolin-8-ylbenzene-1,4-dicarboxamide
CID 109046640
4-(acetamidomethyl)-N-(2-methylphenyl)benzamide
CID 18104261
N-hydroxy-4-[2-oxo-2-(quinolin-8-ylamino)ethyl]benzamide
CID 54674805
N-[(4-methoxyphenyl)methyl]-N'-quinolin-8-yloxamide
CID 108508241
4-N-benzyl-2-N-quinolin-8-ylpyridine-2,4-dicarboxamide
CID 109085380
1-N-(2-cyanophenyl)-4-N-quinolin-8-ylbenzene-1,4-dicarboxamide
CID 109050221
4-bromo-N-[2-oxo-2-(quinolin-8-ylamino)ethyl]benzamide
CID 78785378
3,4,5-triethoxy-N-quinolin-8-ylbenzamide
CID 1018003
1-N-cyclopentyl-4-N-quinolin-8-ylbenzene-1,4-dicarboxamide
CID 109044532

Frequently Asked Questions

What is the IUPAC name of 4-(acetamidomethyl)-N-quinolin-8-ylbenzamide?
The IUPAC name of 4-(acetamidomethyl)-N-quinolin-8-ylbenzamide (CID 18196066) is 4-(acetamidomethyl)-N-quinolin-8-ylbenzamide.
What is the SMILES notation for 4-(acetamidomethyl)-N-quinolin-8-ylbenzamide?
The canonical SMILES for 4-(acetamidomethyl)-N-quinolin-8-ylbenzamide is CC(=O)NCc1ccc(C(=O)Nc2cccc3cccnc23)cc1.
What is the InChIKey of 4-(acetamidomethyl)-N-quinolin-8-ylbenzamide?
The InChIKey is LPPBSHWAWHXVBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17N3O2/c1-13(23)21-12-14-7-9-16(10-8-14)19(24)22-17-6-2-4-15-5-3-11-20-18(15)17/h2-11H,12H2,1H3,(H,21,23)(H,22,24).
What are the key properties of 4-(acetamidomethyl)-N-quinolin-8-ylbenzamide?
4-(acetamidomethyl)-N-quinolin-8-ylbenzamide has a molecular weight of 319.36 g/mol, XLogP of 3.12, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(acetamidomethyl)-N-quinolin-8-ylbenzamide is sourced from PubChem (CID 18196066), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).