7-[3-(dimethylamino)pyrrolidine-1-carbonyl]-3H-quinazolin-4-one

C15H18N4O2 — CID 155953976

IUPAC7-[3-(dimethylamino)pyrrolidine-1-carbonyl]-3H-quinazolin-4-one
SMILESCN(C)C1CCN(C(=O)c2ccc3c(=O)[nH]cnc3c2)C1
InChIInChI=1S/C15H18N4O2/c1-18(2)11-5-6-19(8-11)15(21)10-3-4-12-13(7-10)16-9-17-14(12)20/h3-4,7,9,11H,5-6,8H2,1-2H3,(H,16,17,20)
InChIKeyZHFMLZXRTQSEJP-UHFFFAOYSA-N
MW286.33 g/mol
LogP0.70
Rot. Bonds2

About 7-[3-(dimethylamino)pyrrolidine-1-carbonyl]-3H-quinazolin-4-one

7-[3-(dimethylamino)pyrrolidine-1-carbonyl]-3H-quinazolin-4-one (PubChem CID 155953976) has the molecular formula C15H18N4O2 and a molecular weight of 286.33 g/mol. Its IUPAC name is 7-[3-(dimethylamino)pyrrolidine-1-carbonyl]-3H-quinazolin-4-one.

Molecular Properties

Compound Name7-[3-(dimethylamino)pyrrolidine-1-carbonyl]-3H-quinazolin-4-one
PubChem CID155953976
Molecular FormulaC15H18N4O2
Molecular Weight286.33 g/mol
Exact Mass286.14
IUPAC Name7-[3-(dimethylamino)pyrrolidine-1-carbonyl]-3H-quinazolin-4-one
SMILESCN(C)C1CCN(C(=O)c2ccc3c(=O)[nH]cnc3c2)C1
InChIInChI=1S/C15H18N4O2/c1-18(2)11-5-6-19(8-11)15(21)10-3-4-12-13(7-10)16-9-17-14(12)20/h3-4,7,9,11H,5-6,8H2,1-2H3,(H,16,17,20)
InChIKeyZHFMLZXRTQSEJP-UHFFFAOYSA-N
XLogP0.70
TPSA69.30 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.33
LogP ≤ 50.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

7-[3-[benzyl(methyl)amino]pyrrolidine-1-carbonyl]-3H-quinazolin-4-one
CID 155953985
7-[3-(triazol-1-ylmethyl)pyrrolidine-1-carbonyl]-3H-quinazolin-4-one
CID 167962226
4-[3-(dimethylamino)pyrrolidine-1-carbonyl]benzoic acid
CID 63175136
[3-(dimethylamino)pyrrolidin-1-yl]-(3-hydroxy-4-methylphenyl)methanone
CID 63528357
[(3S)-3-(dimethylamino)pyrrolidin-1-yl]-(2-propan-2-yl-1,3-benzoxazol-5-yl)methanone
CID 25479683
[(3S)-3-(dimethylamino)pyrrolidin-1-yl]-(6-iodo-3-pyridinyl)methanone
CID 134405988
7-(4-phenyl-1,4-diazepane-1-carbonyl)-3H-quinazolin-4-one
CID 136559134
[4-(4-chlorophenyl)phenyl]-[(3S)-3-(dimethylamino)pyrrolidin-1-yl]methanone
CID 126426652
[3-(dimethylamino)pyrrolidin-1-yl]-[4-methyl-3-(trifluoromethyl)phenyl]methanone
CID 71166836
(3-amino-4-bromophenyl)-[3-(dimethylamino)pyrrolidin-1-yl]methanone
CID 63166595
(4-tert-butylphenyl)-[(3S)-3-(dimethylamino)pyrrolidin-1-yl]methanone
CID 121450401
[(3R)-3-(dimethylamino)pyrrolidin-1-yl]-(3-pyrazin-2-ylphenyl)methanone
CID 125179666

Frequently Asked Questions

What is the IUPAC name of 7-[3-(dimethylamino)pyrrolidine-1-carbonyl]-3H-quinazolin-4-one?
The IUPAC name of 7-[3-(dimethylamino)pyrrolidine-1-carbonyl]-3H-quinazolin-4-one (CID 155953976) is 7-[3-(dimethylamino)pyrrolidine-1-carbonyl]-3H-quinazolin-4-one.
What is the SMILES notation for 7-[3-(dimethylamino)pyrrolidine-1-carbonyl]-3H-quinazolin-4-one?
The canonical SMILES for 7-[3-(dimethylamino)pyrrolidine-1-carbonyl]-3H-quinazolin-4-one is CN(C)C1CCN(C(=O)c2ccc3c(=O)[nH]cnc3c2)C1.
What is the InChIKey of 7-[3-(dimethylamino)pyrrolidine-1-carbonyl]-3H-quinazolin-4-one?
The InChIKey is ZHFMLZXRTQSEJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N4O2/c1-18(2)11-5-6-19(8-11)15(21)10-3-4-12-13(7-10)16-9-17-14(12)20/h3-4,7,9,11H,5-6,8H2,1-2H3,(H,16,17,20).
What are the key properties of 7-[3-(dimethylamino)pyrrolidine-1-carbonyl]-3H-quinazolin-4-one?
7-[3-(dimethylamino)pyrrolidine-1-carbonyl]-3H-quinazolin-4-one has a molecular weight of 286.33 g/mol, XLogP of 0.70, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[3-(dimethylamino)pyrrolidine-1-carbonyl]-3H-quinazolin-4-one is sourced from PubChem (CID 155953976), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).