7-[3-[benzyl(methyl)amino]pyrrolidine-1-carbonyl]-3H-quinazolin-4-one

C21H22N4O2 — CID 155953985

IUPAC7-[3-[benzyl(methyl)amino]pyrrolidine-1-carbonyl]-3H-quinazolin-4-one
SMILESCN(Cc1ccccc1)C1CCN(C(=O)c2ccc3c(=O)[nH]cnc3c2)C1
InChIInChI=1S/C21H22N4O2/c1-24(12-15-5-3-2-4-6-15)17-9-10-25(13-17)21(27)16-7-8-18-19(11-16)22-14-23-20(18)26/h2-8,11,14,17H,9-10,12-13H2,1H3,(H,22,23,26)
InChIKeyHEXOEBCFTSGFQG-UHFFFAOYSA-N
MW362.43 g/mol
LogP2.27
Rot. Bonds4

About 7-[3-[benzyl(methyl)amino]pyrrolidine-1-carbonyl]-3H-quinazolin-4-one

7-[3-[benzyl(methyl)amino]pyrrolidine-1-carbonyl]-3H-quinazolin-4-one (PubChem CID 155953985) has the molecular formula C21H22N4O2 and a molecular weight of 362.43 g/mol. Its IUPAC name is 7-[3-[benzyl(methyl)amino]pyrrolidine-1-carbonyl]-3H-quinazolin-4-one.

Molecular Properties

Compound Name7-[3-[benzyl(methyl)amino]pyrrolidine-1-carbonyl]-3H-quinazolin-4-one
PubChem CID155953985
Molecular FormulaC21H22N4O2
Molecular Weight362.43 g/mol
Exact Mass362.17
IUPAC Name7-[3-[benzyl(methyl)amino]pyrrolidine-1-carbonyl]-3H-quinazolin-4-one
SMILESCN(Cc1ccccc1)C1CCN(C(=O)c2ccc3c(=O)[nH]cnc3c2)C1
InChIInChI=1S/C21H22N4O2/c1-24(12-15-5-3-2-4-6-15)17-9-10-25(13-17)21(27)16-7-8-18-19(11-16)22-14-23-20(18)26/h2-8,11,14,17H,9-10,12-13H2,1H3,(H,22,23,26)
InChIKeyHEXOEBCFTSGFQG-UHFFFAOYSA-N
XLogP2.27
TPSA69.30 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.43
LogP ≤ 52.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

7-[3-(dimethylamino)pyrrolidine-1-carbonyl]-3H-quinazolin-4-one
CID 155953976
3-[3-[benzyl(methyl)amino]pyrrolidine-1-carbonyl]-4,6-dimethyl-1H-pyridin-2-one
CID 75375735
7-[3-(triazol-1-ylmethyl)pyrrolidine-1-carbonyl]-3H-quinazolin-4-one
CID 167962226
7-(4-phenyl-1,4-diazepane-1-carbonyl)-3H-quinazolin-4-one
CID 136559134
[(3S)-3-[benzyl(methyl)amino]piperidin-1-yl]-[2-(1,2,4-triazol-4-yl)-4-pyridinyl]methanone
CID 95715751
[(3R)-3-[benzyl(methyl)amino]piperidin-1-yl]-(3-fluoro-4-methoxyphenyl)methanone
CID 25455997
[3-[benzyl(methyl)amino]piperidin-1-yl]-(1-oxidopyridin-1-ium-4-yl)methanone
CID 45204558
[3-[benzyl(methyl)amino]piperidin-1-yl]-(1-benzylpyrazol-4-yl)methanone
CID 45220798
3-[[1-(3H-benzimidazole-5-carbonyl)pyrrolidin-3-yl]methyl]benzoic acid
CID 56886998
7-(1'-methylspiro[1,3-dihydroisoquinoline-4,4'-piperidine]-2-carbonyl)-3H-quinazolin-4-one
CID 155954004
1-(3H-benzimidazole-5-carbonyl)pyrrolidine-3-carboxylic acid
CID 63007156
7-(1-propan-2-yl-3,4-dihydro-1H-isoquinoline-2-carbonyl)-3H-quinazolin-4-one
CID 155954274

Frequently Asked Questions

What is the IUPAC name of 7-[3-[benzyl(methyl)amino]pyrrolidine-1-carbonyl]-3H-quinazolin-4-one?
The IUPAC name of 7-[3-[benzyl(methyl)amino]pyrrolidine-1-carbonyl]-3H-quinazolin-4-one (CID 155953985) is 7-[3-[benzyl(methyl)amino]pyrrolidine-1-carbonyl]-3H-quinazolin-4-one.
What is the SMILES notation for 7-[3-[benzyl(methyl)amino]pyrrolidine-1-carbonyl]-3H-quinazolin-4-one?
The canonical SMILES for 7-[3-[benzyl(methyl)amino]pyrrolidine-1-carbonyl]-3H-quinazolin-4-one is CN(Cc1ccccc1)C1CCN(C(=O)c2ccc3c(=O)[nH]cnc3c2)C1.
What is the InChIKey of 7-[3-[benzyl(methyl)amino]pyrrolidine-1-carbonyl]-3H-quinazolin-4-one?
The InChIKey is HEXOEBCFTSGFQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22N4O2/c1-24(12-15-5-3-2-4-6-15)17-9-10-25(13-17)21(27)16-7-8-18-19(11-16)22-14-23-20(18)26/h2-8,11,14,17H,9-10,12-13H2,1H3,(H,22,23,26).
What are the key properties of 7-[3-[benzyl(methyl)amino]pyrrolidine-1-carbonyl]-3H-quinazolin-4-one?
7-[3-[benzyl(methyl)amino]pyrrolidine-1-carbonyl]-3H-quinazolin-4-one has a molecular weight of 362.43 g/mol, XLogP of 2.27, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[3-[benzyl(methyl)amino]pyrrolidine-1-carbonyl]-3H-quinazolin-4-one is sourced from PubChem (CID 155953985), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).