2-[amino(cyclopropyl)methyl]-5-chloro-3-(4-methyl-1H-pyrazol-5-yl)quinazolin-4-one

C16H16ClN5O — CID 118576091

IUPAC2-[amino(cyclopropyl)methyl]-5-chloro-3-(4-methyl-1H-pyrazol-5-yl)quinazolin-4-one
SMILESCc1cn[nH]c1-n1c(C(N)C2CC2)nc2cccc(Cl)c2c1=O
InChIInChI=1S/C16H16ClN5O/c1-8-7-19-21-14(8)22-15(13(18)9-5-6-9)20-11-4-2-3-10(17)12(11)16(22)23/h2-4,7,9,13H,5-6,18H2,1H3,(H,19,21)
InChIKeyWXLHQUZCVAUYFE-UHFFFAOYSA-N
MW329.79 g/mol
LogP2.48
Rot. Bonds3

About 2-[amino(cyclopropyl)methyl]-5-chloro-3-(4-methyl-1H-pyrazol-5-yl)quinazolin-4-one

2-[amino(cyclopropyl)methyl]-5-chloro-3-(4-methyl-1H-pyrazol-5-yl)quinazolin-4-one (PubChem CID 118576091) has the molecular formula C16H16ClN5O and a molecular weight of 329.79 g/mol. Its IUPAC name is 2-[amino(cyclopropyl)methyl]-5-chloro-3-(4-methyl-1H-pyrazol-5-yl)quinazolin-4-one.

Molecular Properties

Compound Name2-[amino(cyclopropyl)methyl]-5-chloro-3-(4-methyl-1H-pyrazol-5-yl)quinazolin-4-one
PubChem CID118576091
Molecular FormulaC16H16ClN5O
Molecular Weight329.79 g/mol
Exact Mass329.10
IUPAC Name2-[amino(cyclopropyl)methyl]-5-chloro-3-(4-methyl-1H-pyrazol-5-yl)quinazolin-4-one
SMILESCc1cn[nH]c1-n1c(C(N)C2CC2)nc2cccc(Cl)c2c1=O
InChIInChI=1S/C16H16ClN5O/c1-8-7-19-21-14(8)22-15(13(18)9-5-6-9)20-11-4-2-3-10(17)12(11)16(22)23/h2-4,7,9,13H,5-6,18H2,1H3,(H,19,21)
InChIKeyWXLHQUZCVAUYFE-UHFFFAOYSA-N
XLogP2.48
TPSA89.59 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.79
LogP ≤ 52.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-[[(6-amino-3-bromo-1,3a-dihydropyrazolo[3,4-d]pyrimidin-4-ylidene)amino]-cyclopropylmethyl]-5-chloro-3-(4-methyl-1H-pyrazol-5-yl)quinazolin-4-one
CID 136968161
2-[amino(cyclopropyl)methyl]-5-chloro-3-(4-methylpiperazin-1-yl)quinazolin-4-one
CID 118572384
3-[2-[(S)-amino(cyclopropyl)methyl]-5-chloro-4-oxoquinazolin-3-yl]benzamide
CID 118571580
2-[(1S)-1-aminopropyl]-5-chloro-3-(1H-pyrazol-5-yl)quinazolin-4-one
CID 118575431
4-[2-[amino(cyclopropyl)methyl]-5-chloro-4-oxoquinazolin-3-yl]butanenitrile;3-[2-[amino(cyclopropyl)methyl]-5-chloro-4-oxoquinazolin-3-yl]propanenitrile
CID 118576464
5-chloro-2-[(S)-cyclopropyl-([1,3]thiazolo[5,4-d]pyrimidin-7-ylamino)methyl]-3-(1H-pyrazol-5-yl)quinazolin-4-one
CID 118575473
2-[(1S)-1-aminoethyl]-5-chloro-3-(1H-pyrrol-2-yl)quinazolin-4-one
CID 118575357
3-amino-2-(1-aminoethyl)-5-chloroquinazolin-4-one
CID 123454317
(7-chloro-1-propan-2-ylbenzimidazol-2-yl)-cyclopropylmethanamine
CID 55108333
2-[(1S)-1-aminoethyl]-5-chloro-3-[3-(difluoromethyl)phenyl]quinazolin-4-one
CID 90234520
tert-butyl N-[3-[2-[amino(cyclopropyl)methyl]-5-chloro-4-oxoquinazolin-3-yl]propyl]carbamate
CID 118573714
2-(1-aminopropyl)-5-chloro-3-phenylquinazolin-4-one;hydrochloride
CID 155191424

Frequently Asked Questions

What is the IUPAC name of 2-[amino(cyclopropyl)methyl]-5-chloro-3-(4-methyl-1H-pyrazol-5-yl)quinazolin-4-one?
The IUPAC name of 2-[amino(cyclopropyl)methyl]-5-chloro-3-(4-methyl-1H-pyrazol-5-yl)quinazolin-4-one (CID 118576091) is 2-[amino(cyclopropyl)methyl]-5-chloro-3-(4-methyl-1H-pyrazol-5-yl)quinazolin-4-one.
What is the SMILES notation for 2-[amino(cyclopropyl)methyl]-5-chloro-3-(4-methyl-1H-pyrazol-5-yl)quinazolin-4-one?
The canonical SMILES for 2-[amino(cyclopropyl)methyl]-5-chloro-3-(4-methyl-1H-pyrazol-5-yl)quinazolin-4-one is Cc1cn[nH]c1-n1c(C(N)C2CC2)nc2cccc(Cl)c2c1=O.
What is the InChIKey of 2-[amino(cyclopropyl)methyl]-5-chloro-3-(4-methyl-1H-pyrazol-5-yl)quinazolin-4-one?
The InChIKey is WXLHQUZCVAUYFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16ClN5O/c1-8-7-19-21-14(8)22-15(13(18)9-5-6-9)20-11-4-2-3-10(17)12(11)16(22)23/h2-4,7,9,13H,5-6,18H2,1H3,(H,19,21).
What are the key properties of 2-[amino(cyclopropyl)methyl]-5-chloro-3-(4-methyl-1H-pyrazol-5-yl)quinazolin-4-one?
2-[amino(cyclopropyl)methyl]-5-chloro-3-(4-methyl-1H-pyrazol-5-yl)quinazolin-4-one has a molecular weight of 329.79 g/mol, XLogP of 2.48, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[amino(cyclopropyl)methyl]-5-chloro-3-(4-methyl-1H-pyrazol-5-yl)quinazolin-4-one is sourced from PubChem (CID 118576091), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).