4-(3-aminopyrrolidin-1-yl)-7-chloro-1H-quinazolin-2-one

C12H13ClN4O — CID 166634418

IUPAC4-(3-aminopyrrolidin-1-yl)-7-chloro-1H-quinazolin-2-one
SMILESNC1CCN(c2nc(=O)[nH]c3cc(Cl)ccc23)C1
InChIInChI=1S/C12H13ClN4O/c13-7-1-2-9-10(5-7)15-12(18)16-11(9)17-4-3-8(14)6-17/h1-2,5,8H,3-4,6,14H2,(H,15,16,18)
InChIKeyCLNNEBMMCBPLSH-UHFFFAOYSA-N
MW264.72 g/mol
LogP1.11
Rot. Bonds1

About 4-(3-aminopyrrolidin-1-yl)-7-chloro-1H-quinazolin-2-one

4-(3-aminopyrrolidin-1-yl)-7-chloro-1H-quinazolin-2-one (PubChem CID 166634418) has the molecular formula C12H13ClN4O and a molecular weight of 264.72 g/mol. Its IUPAC name is 4-(3-aminopyrrolidin-1-yl)-7-chloro-1H-quinazolin-2-one.

Molecular Properties

Compound Name4-(3-aminopyrrolidin-1-yl)-7-chloro-1H-quinazolin-2-one
PubChem CID166634418
Molecular FormulaC12H13ClN4O
Molecular Weight264.72 g/mol
Exact Mass264.08
IUPAC Name4-(3-aminopyrrolidin-1-yl)-7-chloro-1H-quinazolin-2-one
SMILESNC1CCN(c2nc(=O)[nH]c3cc(Cl)ccc23)C1
InChIInChI=1S/C12H13ClN4O/c13-7-1-2-9-10(5-7)15-12(18)16-11(9)17-4-3-8(14)6-17/h1-2,5,8H,3-4,6,14H2,(H,15,16,18)
InChIKeyCLNNEBMMCBPLSH-UHFFFAOYSA-N
XLogP1.11
TPSA75.01 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.72
LogP ≤ 51.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

7-chloranyl-4-[(3R)-3-fluoranylpyrrolidin-1-yl]-1-phenyl-quinazolin-2-one
CID 150331522
MAT2A inhibitor 3
CID 150703860
7-chloranyl-4-(dimethylamino)-1~{H}-quinazolin-2-one
CID 133054303
Imidazo(1,2-c)quinazoline, 5-(4-chlorophenyl)-2,3,5,6-tetrahydro-
CID 211824
N-[6-Chloro-2,3-dihydropyrrolo[2,1-b]quinazolin-9(1H)-ylidene]butane-1,4-diamine
CID 44577141
N-[6-Chloro-2,3-dihydropyrrolo[2,1-b]quinazolin-9(1H)-ylidene]pentane-1,5-diamine
CID 44577142
N-[6-Chloro-2,3-dihydropyrrolo[2,1-b]quinazolin-9(1H)-ylidene]hexane-1,6-diamine
CID 44577143
N-[6-Chloro-2,3-dihydropyrrolo[2,1-b]quinazolin-9(1H)-ylidene]heptane-1,7-diamine
CID 44577144
N-[6-Chloro-2,3-dihydropyrrolo[2,1-b]quinazolin-9(1H)-ylidene]octane-1,8-diamine
CID 44577145
7-Chloro-4-[ethyl(methyl)amino]-1-phenylquinazolin-2-one
CID 166627659
7-chloro-4-[ethyl(methyl)amino]-1H-quinazolin-2-one
CID 166629570
7-chloroquinazolin-2(1H)-one
CID 12413924

Frequently Asked Questions

What is the IUPAC name of 4-(3-aminopyrrolidin-1-yl)-7-chloro-1H-quinazolin-2-one?
The IUPAC name of 4-(3-aminopyrrolidin-1-yl)-7-chloro-1H-quinazolin-2-one (CID 166634418) is 4-(3-aminopyrrolidin-1-yl)-7-chloro-1H-quinazolin-2-one.
What is the SMILES notation for 4-(3-aminopyrrolidin-1-yl)-7-chloro-1H-quinazolin-2-one?
The canonical SMILES for 4-(3-aminopyrrolidin-1-yl)-7-chloro-1H-quinazolin-2-one is NC1CCN(c2nc(=O)[nH]c3cc(Cl)ccc23)C1.
What is the InChIKey of 4-(3-aminopyrrolidin-1-yl)-7-chloro-1H-quinazolin-2-one?
The InChIKey is CLNNEBMMCBPLSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13ClN4O/c13-7-1-2-9-10(5-7)15-12(18)16-11(9)17-4-3-8(14)6-17/h1-2,5,8H,3-4,6,14H2,(H,15,16,18).
What are the key properties of 4-(3-aminopyrrolidin-1-yl)-7-chloro-1H-quinazolin-2-one?
4-(3-aminopyrrolidin-1-yl)-7-chloro-1H-quinazolin-2-one has a molecular weight of 264.72 g/mol, XLogP of 1.11, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-aminopyrrolidin-1-yl)-7-chloro-1H-quinazolin-2-one is sourced from PubChem (CID 166634418), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).