(2S)-1-[(2-chloroquinazolin-4-yl)amino]propan-2-ol

C11H12ClN3O — CID 42149810

IUPAC(2S)-1-[(2-chloroquinazolin-4-yl)amino]propan-2-ol
SMILESC[C@H](O)CNc1nc(Cl)nc2ccccc12
InChIInChI=1S/C11H12ClN3O/c1-7(16)6-13-10-8-4-2-3-5-9(8)14-11(12)15-10/h2-5,7,16H,6H2,1H3,(H,13,14,15)/t7-/m0/s1
InChIKeyLKHJLQFUNUCSQZ-ZETCQYMHSA-N
MW237.69 g/mol
LogP2.08
Rot. Bonds3

About (2S)-1-[(2-chloroquinazolin-4-yl)amino]propan-2-ol

(2S)-1-[(2-chloroquinazolin-4-yl)amino]propan-2-ol (PubChem CID 42149810) has the molecular formula C11H12ClN3O and a molecular weight of 237.69 g/mol. Its IUPAC name is (2S)-1-[(2-chloroquinazolin-4-yl)amino]propan-2-ol.

Molecular Properties

Compound Name(2S)-1-[(2-chloroquinazolin-4-yl)amino]propan-2-ol
PubChem CID42149810
Molecular FormulaC11H12ClN3O
Molecular Weight237.69 g/mol
Exact Mass237.07
IUPAC Name(2S)-1-[(2-chloroquinazolin-4-yl)amino]propan-2-ol
SMILESC[C@H](O)CNc1nc(Cl)nc2ccccc12
InChIInChI=1S/C11H12ClN3O/c1-7(16)6-13-10-8-4-2-3-5-9(8)14-11(12)15-10/h2-5,7,16H,6H2,1H3,(H,13,14,15)/t7-/m0/s1
InChIKeyLKHJLQFUNUCSQZ-ZETCQYMHSA-N
XLogP2.08
TPSA58.04 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.69
LogP ≤ 52.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze (2S)-1-[(2-chloroquinazolin-4-yl)amino]propan-2-ol with MolForge

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Related Compounds

5-[(2-chloroquinazolin-4-yl)amino]pentan-2-ol
CID 114148530
4-[(2-chloroquinazolin-4-yl)amino]-3-methylbutan-1-ol
CID 66109317
2-chloro-N-(2-methylsulfinylpropyl)quinazolin-4-amine
CID 113484441
N'-(2-chloroquinazolin-4-yl)-N,N-dimethyl-1-phenylethane-1,2-diamine
CID 121377379
N-[2-[(2-chloroquinazolin-4-yl)amino]-1-phenylethyl]acetamide
CID 121377431
2-[4-[[(2S)-2-hydroxypropyl]amino]quinazolin-2-yl]ethyl-dimethylazanium
CID 6984824
1-[(2-cyclohexylquinazolin-4-yl)amino]propan-2-ol
CID 171988229
2-chloro-N-(4-methylpent-1-yn-3-yl)quinazolin-4-amine
CID 114202742
2-chloro-N-(3-methoxypropyl)quinazolin-4-amine
CID 22692600
N-(2-chloroquinazolin-4-yl)-N',N'-diethylethane-1,2-diamine;hydrochloride
CID 21412321
4-N-(2-methylpropyl)quinazoline-2,4-diamine
CID 80770158
ethyl 3-[(2-chloroquinazolin-4-yl)amino]propanoate
CID 62477868

Frequently Asked Questions

What is the IUPAC name of (2S)-1-[(2-chloroquinazolin-4-yl)amino]propan-2-ol?
The IUPAC name of (2S)-1-[(2-chloroquinazolin-4-yl)amino]propan-2-ol (CID 42149810) is (2S)-1-[(2-chloroquinazolin-4-yl)amino]propan-2-ol.
What is the SMILES notation for (2S)-1-[(2-chloroquinazolin-4-yl)amino]propan-2-ol?
The canonical SMILES for (2S)-1-[(2-chloroquinazolin-4-yl)amino]propan-2-ol is C[C@H](O)CNc1nc(Cl)nc2ccccc12.
What is the InChIKey of (2S)-1-[(2-chloroquinazolin-4-yl)amino]propan-2-ol?
The InChIKey is LKHJLQFUNUCSQZ-ZETCQYMHSA-N. The full InChI is InChI=1S/C11H12ClN3O/c1-7(16)6-13-10-8-4-2-3-5-9(8)14-11(12)15-10/h2-5,7,16H,6H2,1H3,(H,13,14,15)/t7-/m0/s1.
What are the key properties of (2S)-1-[(2-chloroquinazolin-4-yl)amino]propan-2-ol?
(2S)-1-[(2-chloroquinazolin-4-yl)amino]propan-2-ol has a molecular weight of 237.69 g/mol, XLogP of 2.08, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-1-[(2-chloroquinazolin-4-yl)amino]propan-2-ol is sourced from PubChem (CID 42149810), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).