4-oxo-N-[(3S)-5-oxo-1-propylpyrrolidin-3-yl]-3H-quinazoline-2-carboxamide

C16H18N4O3 — CID 136776065

IUPAC4-oxo-N-[(3S)-5-oxo-1-propylpyrrolidin-3-yl]-3H-quinazoline-2-carboxamide
SMILESCCCN1C[C@@H](NC(=O)c2nc3ccccc3c(=O)[nH]2)CC1=O
InChIInChI=1S/C16H18N4O3/c1-2-7-20-9-10(8-13(20)21)17-16(23)14-18-12-6-4-3-5-11(12)15(22)19-14/h3-6,10H,2,7-9H2,1H3,(H,17,23)(H,18,19,22)/t10-/m0/s1
InChIKeyDMVMWWRZWYJWAU-JTQLQIEISA-N
MW314.34 g/mol
LogP0.66
Rot. Bonds4

About 4-oxo-N-[(3S)-5-oxo-1-propylpyrrolidin-3-yl]-3H-quinazoline-2-carboxamide

4-oxo-N-[(3S)-5-oxo-1-propylpyrrolidin-3-yl]-3H-quinazoline-2-carboxamide (PubChem CID 136776065) has the molecular formula C16H18N4O3 and a molecular weight of 314.34 g/mol. Its IUPAC name is 4-oxo-N-[(3S)-5-oxo-1-propylpyrrolidin-3-yl]-3H-quinazoline-2-carboxamide.

Molecular Properties

Compound Name4-oxo-N-[(3S)-5-oxo-1-propylpyrrolidin-3-yl]-3H-quinazoline-2-carboxamide
PubChem CID136776065
Molecular FormulaC16H18N4O3
Molecular Weight314.34 g/mol
Exact Mass314.14
IUPAC Name4-oxo-N-[(3S)-5-oxo-1-propylpyrrolidin-3-yl]-3H-quinazoline-2-carboxamide
SMILESCCCN1C[C@@H](NC(=O)c2nc3ccccc3c(=O)[nH]2)CC1=O
InChIInChI=1S/C16H18N4O3/c1-2-7-20-9-10(8-13(20)21)17-16(23)14-18-12-6-4-3-5-11(12)15(22)19-14/h3-6,10H,2,7-9H2,1H3,(H,17,23)(H,18,19,22)/t10-/m0/s1
InChIKeyDMVMWWRZWYJWAU-JTQLQIEISA-N
XLogP0.66
TPSA95.16 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.34
LogP ≤ 50.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-oxo-N-(4-pyrazol-1-ylcyclohexyl)-3H-quinazoline-2-carboxamide
CID 175644530
3-(4-hydroxyphenyl)-N-[(3S)-5-oxo-1-propylpyrrolidin-3-yl]-1H-pyrazole-5-carboxamide
CID 136772131
4-oxo-N-[(3R)-1-(thiophen-2-ylmethyl)piperidin-3-yl]-3H-quinazoline-2-carboxamide
CID 137225427
N-[(3S)-5-oxo-1-(2-phenylethyl)pyrrolidin-3-yl]-2-propylpyrazole-3-carboxamide
CID 95723506
N-[5-oxo-1-(2-phenylethyl)pyrrolidin-3-yl]-2-propylpyrazole-3-carboxamide
CID 56898533
5-(benzimidazol-1-ylmethyl)-N-(5-oxo-1-propylpyrrolidin-3-yl)-1H-pyrazole-3-carboxamide
CID 56745517
2-amino-5-hydroxy-N-(5-oxo-1-propylpyrrolidin-3-yl)benzamide
CID 131944350
N-(2-aminoethyl)-4-oxo-3H-quinazoline-2-carboxamide
CID 135629189
2-chloro-N-[2-[[(3S)-5-oxo-1-propylpyrrolidin-3-yl]carbamoylamino]ethyl]benzamide
CID 125442731
N-[(3aR,5S,6S,7aS)-6-methoxy-2,3,3a,4,5,6,7,7a-octahydro-1H-isoindol-5-yl]-4-oxo-3H-quinazoline-2-carboxamide
CID 172671264
4-oxo-N-phenyl-3H-quinazoline-2-carboxamide
CID 135794299
N-[2-[(2,2-diphenylacetyl)amino]ethyl]-4-oxo-3H-quinazoline-2-carboxamide
CID 135658789

Frequently Asked Questions

What is the IUPAC name of 4-oxo-N-[(3S)-5-oxo-1-propylpyrrolidin-3-yl]-3H-quinazoline-2-carboxamide?
The IUPAC name of 4-oxo-N-[(3S)-5-oxo-1-propylpyrrolidin-3-yl]-3H-quinazoline-2-carboxamide (CID 136776065) is 4-oxo-N-[(3S)-5-oxo-1-propylpyrrolidin-3-yl]-3H-quinazoline-2-carboxamide.
What is the SMILES notation for 4-oxo-N-[(3S)-5-oxo-1-propylpyrrolidin-3-yl]-3H-quinazoline-2-carboxamide?
The canonical SMILES for 4-oxo-N-[(3S)-5-oxo-1-propylpyrrolidin-3-yl]-3H-quinazoline-2-carboxamide is CCCN1C[C@@H](NC(=O)c2nc3ccccc3c(=O)[nH]2)CC1=O.
What is the InChIKey of 4-oxo-N-[(3S)-5-oxo-1-propylpyrrolidin-3-yl]-3H-quinazoline-2-carboxamide?
The InChIKey is DMVMWWRZWYJWAU-JTQLQIEISA-N. The full InChI is InChI=1S/C16H18N4O3/c1-2-7-20-9-10(8-13(20)21)17-16(23)14-18-12-6-4-3-5-11(12)15(22)19-14/h3-6,10H,2,7-9H2,1H3,(H,17,23)(H,18,19,22)/t10-/m0/s1.
What are the key properties of 4-oxo-N-[(3S)-5-oxo-1-propylpyrrolidin-3-yl]-3H-quinazoline-2-carboxamide?
4-oxo-N-[(3S)-5-oxo-1-propylpyrrolidin-3-yl]-3H-quinazoline-2-carboxamide has a molecular weight of 314.34 g/mol, XLogP of 0.66, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-oxo-N-[(3S)-5-oxo-1-propylpyrrolidin-3-yl]-3H-quinazoline-2-carboxamide is sourced from PubChem (CID 136776065), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).