3-(2,5-dimethylpyrrol-1-yl)-N-(4-oxo-3H-quinazolin-6-yl)propanamide

C17H18N4O2 — CID 135637599

IUPAC3-(2,5-dimethylpyrrol-1-yl)-N-(4-oxo-3H-quinazolin-6-yl)propanamide
SMILESCc1ccc(C)n1CCC(=O)Nc1ccc2nc[nH]c(=O)c2c1
InChIInChI=1S/C17H18N4O2/c1-11-3-4-12(2)21(11)8-7-16(22)20-13-5-6-15-14(9-13)17(23)19-10-18-15/h3-6,9-10H,7-8H2,1-2H3,(H,20,22)(H,18,19,23)
InChIKeyQGCBNRVLIKQDRA-UHFFFAOYSA-N
MW310.36 g/mol
LogP2.37
Rot. Bonds4

About 3-(2,5-dimethylpyrrol-1-yl)-N-(4-oxo-3H-quinazolin-6-yl)propanamide

3-(2,5-dimethylpyrrol-1-yl)-N-(4-oxo-3H-quinazolin-6-yl)propanamide (PubChem CID 135637599) has the molecular formula C17H18N4O2 and a molecular weight of 310.36 g/mol. Its IUPAC name is 3-(2,5-dimethylpyrrol-1-yl)-N-(4-oxo-3H-quinazolin-6-yl)propanamide.

Molecular Properties

Compound Name3-(2,5-dimethylpyrrol-1-yl)-N-(4-oxo-3H-quinazolin-6-yl)propanamide
PubChem CID135637599
Molecular FormulaC17H18N4O2
Molecular Weight310.36 g/mol
Exact Mass310.14
IUPAC Name3-(2,5-dimethylpyrrol-1-yl)-N-(4-oxo-3H-quinazolin-6-yl)propanamide
SMILESCc1ccc(C)n1CCC(=O)Nc1ccc2nc[nH]c(=O)c2c1
InChIInChI=1S/C17H18N4O2/c1-11-3-4-12(2)21(11)8-7-16(22)20-13-5-6-15-14(9-13)17(23)19-10-18-15/h3-6,9-10H,7-8H2,1-2H3,(H,20,22)(H,18,19,23)
InChIKeyQGCBNRVLIKQDRA-UHFFFAOYSA-N
XLogP2.37
TPSA79.78 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.36
LogP ≤ 52.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-[4-(3,5-dimethylpyrazol-1-yl)phenyl]-N-(4-oxo-3H-quinazolin-6-yl)propanamide
CID 136869714
N-(4-oxo-3H-quinazolin-6-yl)benzamide
CID 174817735
3-(2,5-dimethylpyrrol-1-yl)-N-[2-(hydroxymethyl)-3H-benzimidazol-5-yl]propanamide
CID 110204597
1-(4-methylphenyl)-3-(4-oxo-3H-quinazolin-6-yl)thiourea
CID 135537826
2-[(2S)-oxolan-2-yl]-N-(4-oxo-3H-quinazolin-6-yl)acetamide
CID 136827778
5-(dithiolan-3-yl)-N-(4-oxo-3H-quinazolin-6-yl)pentanamide
CID 135639539
N-(4-acetylphenyl)-3-(2,5-dimethylpyrrol-1-yl)propanamide
CID 110689025
3-(2,5-dimethylpyrrol-1-yl)-N-(6-methoxy-3-pyridinyl)propanamide
CID 110204854
(3S)-1-(2-methylpropyl)-5-oxo-N-(4-oxo-3H-quinazolin-6-yl)pyrrolidine-3-carboxamide
CID 136849640
2-(benzylamino)-N-(4-oxo-3H-quinazolin-7-yl)acetamide
CID 135899077
ethyl 1-[(4-oxo-3H-quinazolin-6-yl)carbamothioyl]piperidine-4-carboxylate
CID 135466781
N-(4-oxo-3H-quinazolin-6-yl)-1-phenylcyclobutane-1-carboxamide
CID 154800942

Frequently Asked Questions

What is the IUPAC name of 3-(2,5-dimethylpyrrol-1-yl)-N-(4-oxo-3H-quinazolin-6-yl)propanamide?
The IUPAC name of 3-(2,5-dimethylpyrrol-1-yl)-N-(4-oxo-3H-quinazolin-6-yl)propanamide (CID 135637599) is 3-(2,5-dimethylpyrrol-1-yl)-N-(4-oxo-3H-quinazolin-6-yl)propanamide.
What is the SMILES notation for 3-(2,5-dimethylpyrrol-1-yl)-N-(4-oxo-3H-quinazolin-6-yl)propanamide?
The canonical SMILES for 3-(2,5-dimethylpyrrol-1-yl)-N-(4-oxo-3H-quinazolin-6-yl)propanamide is Cc1ccc(C)n1CCC(=O)Nc1ccc2nc[nH]c(=O)c2c1.
What is the InChIKey of 3-(2,5-dimethylpyrrol-1-yl)-N-(4-oxo-3H-quinazolin-6-yl)propanamide?
The InChIKey is QGCBNRVLIKQDRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N4O2/c1-11-3-4-12(2)21(11)8-7-16(22)20-13-5-6-15-14(9-13)17(23)19-10-18-15/h3-6,9-10H,7-8H2,1-2H3,(H,20,22)(H,18,19,23).
What are the key properties of 3-(2,5-dimethylpyrrol-1-yl)-N-(4-oxo-3H-quinazolin-6-yl)propanamide?
3-(2,5-dimethylpyrrol-1-yl)-N-(4-oxo-3H-quinazolin-6-yl)propanamide has a molecular weight of 310.36 g/mol, XLogP of 2.37, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,5-dimethylpyrrol-1-yl)-N-(4-oxo-3H-quinazolin-6-yl)propanamide is sourced from PubChem (CID 135637599), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).