2-[(7-chloroquinazolin-4-yl)amino]-1-cyclopentylethanol

C15H18ClN3O — CID 133307011

IUPAC2-[(7-chloroquinazolin-4-yl)amino]-1-cyclopentylethanol
SMILESOC(CNc1ncnc2cc(Cl)ccc12)C1CCCC1
InChIInChI=1S/C15H18ClN3O/c16-11-5-6-12-13(7-11)18-9-19-15(12)17-8-14(20)10-3-1-2-4-10/h5-7,9-10,14,20H,1-4,8H2,(H,17,18,19)
InChIKeySJWHDWARDSPUAT-UHFFFAOYSA-N
MW291.78 g/mol
LogP3.25
Rot. Bonds4

About 2-[(7-chloroquinazolin-4-yl)amino]-1-cyclopentylethanol

2-[(7-chloroquinazolin-4-yl)amino]-1-cyclopentylethanol (PubChem CID 133307011) has the molecular formula C15H18ClN3O and a molecular weight of 291.78 g/mol. Its IUPAC name is 2-[(7-chloroquinazolin-4-yl)amino]-1-cyclopentylethanol.

Molecular Properties

Compound Name2-[(7-chloroquinazolin-4-yl)amino]-1-cyclopentylethanol
PubChem CID133307011
Molecular FormulaC15H18ClN3O
Molecular Weight291.78 g/mol
Exact Mass291.11
IUPAC Name2-[(7-chloroquinazolin-4-yl)amino]-1-cyclopentylethanol
SMILESOC(CNc1ncnc2cc(Cl)ccc12)C1CCCC1
InChIInChI=1S/C15H18ClN3O/c16-11-5-6-12-13(7-11)18-9-19-15(12)17-8-14(20)10-3-1-2-4-10/h5-7,9-10,14,20H,1-4,8H2,(H,17,18,19)
InChIKeySJWHDWARDSPUAT-UHFFFAOYSA-N
XLogP3.25
TPSA58.04 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.78
LogP ≤ 53.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[(7-chloroquinolin-4-yl)amino]-1-cyclopropylethanol
CID 63296139
(1S)-1-cyclopentyl-2-(pyrido[2,3-d]pyrimidin-4-ylamino)ethanol
CID 97326266
2-[(7-chloroquinazolin-4-yl)amino]-1-(furan-2-yl)ethanol
CID 110889677
7-chloro-N-[2-(3-chlorophenyl)propyl]quinazolin-4-amine
CID 166321938
1-(azetidin-1-yl)-2-[(7-chloroquinazolin-4-yl)amino]ethanone;difluoromethane
CID 178127443
1-N-(7-chloroquinazolin-4-yl)-2-N-phenylpropane-1,2-diamine
CID 133346889
7-chloro-N-(3-methylbutyl)quinazolin-4-amine;ethane
CID 156733545
7-chloro-N-[(2,4-dichlorophenyl)methyl]quinazolin-4-amine
CID 1490538
1-(2-azaspiro[3.3]heptan-2-yl)-2-[(7-chloroquinazolin-4-yl)amino]ethanone
CID 178127178
1-cyclopentyl-2-[(1-phenylpyrazolo[3,4-d]pyrimidin-4-yl)amino]ethanol
CID 133306905
6-chloro-N-cyclohexylquinazolin-4-amine
CID 13231193
2-[(7-chloroquinazolin-4-yl)amino]butan-1-ol
CID 86910047

Frequently Asked Questions

What is the IUPAC name of 2-[(7-chloroquinazolin-4-yl)amino]-1-cyclopentylethanol?
The IUPAC name of 2-[(7-chloroquinazolin-4-yl)amino]-1-cyclopentylethanol (CID 133307011) is 2-[(7-chloroquinazolin-4-yl)amino]-1-cyclopentylethanol.
What is the SMILES notation for 2-[(7-chloroquinazolin-4-yl)amino]-1-cyclopentylethanol?
The canonical SMILES for 2-[(7-chloroquinazolin-4-yl)amino]-1-cyclopentylethanol is OC(CNc1ncnc2cc(Cl)ccc12)C1CCCC1.
What is the InChIKey of 2-[(7-chloroquinazolin-4-yl)amino]-1-cyclopentylethanol?
The InChIKey is SJWHDWARDSPUAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18ClN3O/c16-11-5-6-12-13(7-11)18-9-19-15(12)17-8-14(20)10-3-1-2-4-10/h5-7,9-10,14,20H,1-4,8H2,(H,17,18,19).
What are the key properties of 2-[(7-chloroquinazolin-4-yl)amino]-1-cyclopentylethanol?
2-[(7-chloroquinazolin-4-yl)amino]-1-cyclopentylethanol has a molecular weight of 291.78 g/mol, XLogP of 3.25, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(7-chloroquinazolin-4-yl)amino]-1-cyclopentylethanol is sourced from PubChem (CID 133307011), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).