2-(4-chlorophenyl)-2-[(6-methylquinazolin-4-yl)amino]ethanol

C17H16ClN3O — CID 133445213

IUPAC2-(4-chlorophenyl)-2-[(6-methylquinazolin-4-yl)amino]ethanol
SMILESCc1ccc2ncnc(NC(CO)c3ccc(Cl)cc3)c2c1
InChIInChI=1S/C17H16ClN3O/c1-11-2-7-15-14(8-11)17(20-10-19-15)21-16(9-22)12-3-5-13(18)6-4-12/h2-8,10,16,22H,9H2,1H3,(H,19,20,21)
InChIKeyBJYBIFVQCIMFHH-UHFFFAOYSA-N
MW313.79 g/mol
LogP3.74
Rot. Bonds4

About 2-(4-chlorophenyl)-2-[(6-methylquinazolin-4-yl)amino]ethanol

2-(4-chlorophenyl)-2-[(6-methylquinazolin-4-yl)amino]ethanol (PubChem CID 133445213) has the molecular formula C17H16ClN3O and a molecular weight of 313.79 g/mol. Its IUPAC name is 2-(4-chlorophenyl)-2-[(6-methylquinazolin-4-yl)amino]ethanol.

Molecular Properties

Compound Name2-(4-chlorophenyl)-2-[(6-methylquinazolin-4-yl)amino]ethanol
PubChem CID133445213
Molecular FormulaC17H16ClN3O
Molecular Weight313.79 g/mol
Exact Mass313.10
IUPAC Name2-(4-chlorophenyl)-2-[(6-methylquinazolin-4-yl)amino]ethanol
SMILESCc1ccc2ncnc(NC(CO)c3ccc(Cl)cc3)c2c1
InChIInChI=1S/C17H16ClN3O/c1-11-2-7-15-14(8-11)17(20-10-19-15)21-16(9-22)12-3-5-13(18)6-4-12/h2-8,10,16,22H,9H2,1H3,(H,19,20,21)
InChIKeyBJYBIFVQCIMFHH-UHFFFAOYSA-N
XLogP3.74
TPSA58.04 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.79
LogP ≤ 53.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(2S)-2-[(6-methylquinazolin-4-yl)amino]propan-1-ol
CID 133428082
2-[(6-methylquinazolin-4-yl)amino]propanoic acid;hydrochloride
CID 18558605
(2R)-2-[(6-methylquinazolin-4-yl)amino]butanoate
CID 6927209
4-chloro-2-[(6-methylquinazolin-4-yl)amino]phenol
CID 21002450
2-([1]benzofuro[3,2-d]pyrimidin-4-ylamino)-2-(4-chlorophenyl)ethanol
CID 133445052
2-[(7-chloroquinazolin-4-yl)amino]butan-1-ol
CID 86910047
2-[(7-aminoquinazolin-4-yl)amino]-2-phenylethanol
CID 65336697
N-tert-butyl-6-methylquinazolin-4-amine
CID 21002439
6-methyl-N-(4-methylphenyl)quinazolin-4-amine
CID 5328827
(2S)-2-[(6-fluoroquinazolin-4-yl)amino]propan-1-ol
CID 133428083
2-phenyl-2-[[6-(1H-pyrrolo[2,3-b]pyridin-3-yl)quinazolin-4-yl]amino]ethanol
CID 175604579
2-(1,3-benzodioxol-5-yl)-2-[(6-chloroquinazolin-4-yl)amino]acetic acid
CID 18796662

Frequently Asked Questions

What is the IUPAC name of 2-(4-chlorophenyl)-2-[(6-methylquinazolin-4-yl)amino]ethanol?
The IUPAC name of 2-(4-chlorophenyl)-2-[(6-methylquinazolin-4-yl)amino]ethanol (CID 133445213) is 2-(4-chlorophenyl)-2-[(6-methylquinazolin-4-yl)amino]ethanol.
What is the SMILES notation for 2-(4-chlorophenyl)-2-[(6-methylquinazolin-4-yl)amino]ethanol?
The canonical SMILES for 2-(4-chlorophenyl)-2-[(6-methylquinazolin-4-yl)amino]ethanol is Cc1ccc2ncnc(NC(CO)c3ccc(Cl)cc3)c2c1.
What is the InChIKey of 2-(4-chlorophenyl)-2-[(6-methylquinazolin-4-yl)amino]ethanol?
The InChIKey is BJYBIFVQCIMFHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16ClN3O/c1-11-2-7-15-14(8-11)17(20-10-19-15)21-16(9-22)12-3-5-13(18)6-4-12/h2-8,10,16,22H,9H2,1H3,(H,19,20,21).
What are the key properties of 2-(4-chlorophenyl)-2-[(6-methylquinazolin-4-yl)amino]ethanol?
2-(4-chlorophenyl)-2-[(6-methylquinazolin-4-yl)amino]ethanol has a molecular weight of 313.79 g/mol, XLogP of 3.74, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chlorophenyl)-2-[(6-methylquinazolin-4-yl)amino]ethanol is sourced from PubChem (CID 133445213), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).