3-(4-chloro-6-methylquinazolin-2-yl)propan-1-ol

C12H13ClN2O — CID 105498483

IUPAC3-(4-chloro-6-methylquinazolin-2-yl)propan-1-ol
SMILESCc1ccc2nc(CCCO)nc(Cl)c2c1
InChIInChI=1S/C12H13ClN2O/c1-8-4-5-10-9(7-8)12(13)15-11(14-10)3-2-6-16/h4-5,7,16H,2-3,6H2,1H3
InChIKeyJLIPYXLLXVDWRZ-UHFFFAOYSA-N
MW236.70 g/mol
LogP2.52
Rot. Bonds3

About 3-(4-chloro-6-methylquinazolin-2-yl)propan-1-ol

3-(4-chloro-6-methylquinazolin-2-yl)propan-1-ol (PubChem CID 105498483) has the molecular formula C12H13ClN2O and a molecular weight of 236.70 g/mol. Its IUPAC name is 3-(4-chloro-6-methylquinazolin-2-yl)propan-1-ol.

Molecular Properties

Compound Name3-(4-chloro-6-methylquinazolin-2-yl)propan-1-ol
PubChem CID105498483
Molecular FormulaC12H13ClN2O
Molecular Weight236.70 g/mol
Exact Mass236.07
IUPAC Name3-(4-chloro-6-methylquinazolin-2-yl)propan-1-ol
SMILESCc1ccc2nc(CCCO)nc(Cl)c2c1
InChIInChI=1S/C12H13ClN2O/c1-8-4-5-10-9(7-8)12(13)15-11(14-10)3-2-6-16/h4-5,7,16H,2-3,6H2,1H3
InChIKeyJLIPYXLLXVDWRZ-UHFFFAOYSA-N
XLogP2.52
TPSA46.01 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.70
LogP ≤ 52.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(4-chloro-6-methylquinazolin-2-yl)-N-methylethanamine
CID 105497222
4-chloro-2-(2-hydroxyethyl)quinazolin-6-ol
CID 105482516
4-chloro-6-iodo-2-propylquinazoline
CID 10616606
3,4-dichloro-2,6-dimethylquinoline
CID 54483448
4-chloro-6-methoxy-2-propylquinazoline
CID 106584452
9-chloro-2,3,7-trimethylacridine
CID 19749386
3-(6-chloroquinazolin-2-yl)propan-1-ol
CID 105480030
2-[3-amino-5-(3-hydroxypropyl)-1H-pyrazol-4-yl]-6-methyl-3H-quinazolin-4-one
CID 135958434
2-(3-hydroxypropylsulfanyl)-3,6-dimethylquinazolin-4-one
CID 111127184
2-(4-chloroquinazolin-2-yl)-N-methylethanamine
CID 105478665
(4,6-dichloroquinazolin-2-yl)methanamine
CID 105485144
ethyl 2,4-dichloro-6-methylquinoline-3-carboxylate
CID 21050828

Frequently Asked Questions

What is the IUPAC name of 3-(4-chloro-6-methylquinazolin-2-yl)propan-1-ol?
The IUPAC name of 3-(4-chloro-6-methylquinazolin-2-yl)propan-1-ol (CID 105498483) is 3-(4-chloro-6-methylquinazolin-2-yl)propan-1-ol.
What is the SMILES notation for 3-(4-chloro-6-methylquinazolin-2-yl)propan-1-ol?
The canonical SMILES for 3-(4-chloro-6-methylquinazolin-2-yl)propan-1-ol is Cc1ccc2nc(CCCO)nc(Cl)c2c1.
What is the InChIKey of 3-(4-chloro-6-methylquinazolin-2-yl)propan-1-ol?
The InChIKey is JLIPYXLLXVDWRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13ClN2O/c1-8-4-5-10-9(7-8)12(13)15-11(14-10)3-2-6-16/h4-5,7,16H,2-3,6H2,1H3.
What are the key properties of 3-(4-chloro-6-methylquinazolin-2-yl)propan-1-ol?
3-(4-chloro-6-methylquinazolin-2-yl)propan-1-ol has a molecular weight of 236.70 g/mol, XLogP of 2.52, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-chloro-6-methylquinazolin-2-yl)propan-1-ol is sourced from PubChem (CID 105498483), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).