1-(3-methoxyphenyl)-5-oxo-N-(4-oxoquinazolin-3-yl)pyrrolidine-3-carboxamide

C20H18N4O4 — CID 42884782

IUPAC1-(3-methoxyphenyl)-5-oxo-N-(4-oxoquinazolin-3-yl)pyrrolidine-3-carboxamide
SMILESCOc1cccc(N2CC(C(=O)Nn3cnc4ccccc4c3=O)CC2=O)c1
InChIInChI=1S/C20H18N4O4/c1-28-15-6-4-5-14(10-15)23-11-13(9-18(23)25)19(26)22-24-12-21-17-8-3-2-7-16(17)20(24)27/h2-8,10,12-13H,9,11H2,1H3,(H,22,26)
InChIKeyCKBWVKAGBJLAEJ-UHFFFAOYSA-N
MW378.39 g/mol
LogP1.53
Rot. Bonds4

About 1-(3-methoxyphenyl)-5-oxo-N-(4-oxoquinazolin-3-yl)pyrrolidine-3-carboxamide

1-(3-methoxyphenyl)-5-oxo-N-(4-oxoquinazolin-3-yl)pyrrolidine-3-carboxamide (PubChem CID 42884782) has the molecular formula C20H18N4O4 and a molecular weight of 378.39 g/mol. Its IUPAC name is 1-(3-methoxyphenyl)-5-oxo-N-(4-oxoquinazolin-3-yl)pyrrolidine-3-carboxamide.

Molecular Properties

Compound Name1-(3-methoxyphenyl)-5-oxo-N-(4-oxoquinazolin-3-yl)pyrrolidine-3-carboxamide
PubChem CID42884782
Molecular FormulaC20H18N4O4
Molecular Weight378.39 g/mol
Exact Mass378.13
IUPAC Name1-(3-methoxyphenyl)-5-oxo-N-(4-oxoquinazolin-3-yl)pyrrolidine-3-carboxamide
SMILESCOc1cccc(N2CC(C(=O)Nn3cnc4ccccc4c3=O)CC2=O)c1
InChIInChI=1S/C20H18N4O4/c1-28-15-6-4-5-14(10-15)23-11-13(9-18(23)25)19(26)22-24-12-21-17-8-3-2-7-16(17)20(24)27/h2-8,10,12-13H,9,11H2,1H3,(H,22,26)
InChIKeyCKBWVKAGBJLAEJ-UHFFFAOYSA-N
XLogP1.53
TPSA93.53 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.39
LogP ≤ 51.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

1-(3-methoxyphenyl)-5-oxo-N-[2-(4-oxoquinazolin-3-yl)ethyl]pyrrolidine-3-carboxamide
CID 52996715
N-[4-(benzimidazol-1-yl)phenyl]-1-(3-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide
CID 55556169
(3R)-1-(3-methoxyphenyl)-N-naphthalen-1-yl-5-oxopyrrolidine-3-carboxamide
CID 1260283
(3S)-N-(1H-benzimidazol-2-yl)-1-(3-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide
CID 42536564
(3S)-1-(3-methoxyphenyl)-N-(5-methyl-1,2-oxazol-3-yl)-5-oxopyrrolidine-3-carboxamide
CID 7371797
N-[2-(cyclopropanecarbonylamino)ethyl]-1-(3-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide
CID 42650892
(3R)-N-[2-(cyclopropanecarbonylamino)ethyl]-1-(3-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide
CID 29128274
(3R)-1-(3-methoxyphenyl)-N-(5-methyl-2-pyridinyl)-5-oxopyrrolidine-3-carboxamide
CID 25332343
(2-chlorophenyl) (3R)-1-(3-methoxyphenyl)-5-oxopyrrolidine-3-carboxylate
CID 9056891
(3S)-1-(3-methoxyphenyl)-5-oxo-N-pentan-3-ylpyrrolidine-3-carboxamide
CID 9376616
1-(3-methoxyphenyl)-5-oxo-N-[1-(pyridin-2-ylmethyl)-1,2,4-triazol-3-yl]pyrrolidine-3-carboxamide
CID 47089712
(3S)-N-(benzimidazol-1-yl)-1-(4-bromophenyl)-5-oxopyrrolidine-3-carboxamide
CID 25473974

Frequently Asked Questions

What is the IUPAC name of 1-(3-methoxyphenyl)-5-oxo-N-(4-oxoquinazolin-3-yl)pyrrolidine-3-carboxamide?
The IUPAC name of 1-(3-methoxyphenyl)-5-oxo-N-(4-oxoquinazolin-3-yl)pyrrolidine-3-carboxamide (CID 42884782) is 1-(3-methoxyphenyl)-5-oxo-N-(4-oxoquinazolin-3-yl)pyrrolidine-3-carboxamide.
What is the SMILES notation for 1-(3-methoxyphenyl)-5-oxo-N-(4-oxoquinazolin-3-yl)pyrrolidine-3-carboxamide?
The canonical SMILES for 1-(3-methoxyphenyl)-5-oxo-N-(4-oxoquinazolin-3-yl)pyrrolidine-3-carboxamide is COc1cccc(N2CC(C(=O)Nn3cnc4ccccc4c3=O)CC2=O)c1.
What is the InChIKey of 1-(3-methoxyphenyl)-5-oxo-N-(4-oxoquinazolin-3-yl)pyrrolidine-3-carboxamide?
The InChIKey is CKBWVKAGBJLAEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18N4O4/c1-28-15-6-4-5-14(10-15)23-11-13(9-18(23)25)19(26)22-24-12-21-17-8-3-2-7-16(17)20(24)27/h2-8,10,12-13H,9,11H2,1H3,(H,22,26).
What are the key properties of 1-(3-methoxyphenyl)-5-oxo-N-(4-oxoquinazolin-3-yl)pyrrolidine-3-carboxamide?
1-(3-methoxyphenyl)-5-oxo-N-(4-oxoquinazolin-3-yl)pyrrolidine-3-carboxamide has a molecular weight of 378.39 g/mol, XLogP of 1.53, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-methoxyphenyl)-5-oxo-N-(4-oxoquinazolin-3-yl)pyrrolidine-3-carboxamide is sourced from PubChem (CID 42884782), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).