1-[(4-aminoquinazolin-2-yl)amino]-2-(2-chlorophenyl)propan-2-ol

C17H17ClN4O — CID 133472174

IUPAC1-[(4-aminoquinazolin-2-yl)amino]-2-(2-chlorophenyl)propan-2-ol
SMILESCC(O)(CNc1nc(N)c2ccccc2n1)c1ccccc1Cl
InChIInChI=1S/C17H17ClN4O/c1-17(23,12-7-3-4-8-13(12)18)10-20-16-21-14-9-5-2-6-11(14)15(19)22-16/h2-9,23H,10H2,1H3,(H3,19,20,21,22)
InChIKeyDFWXCKWWHMLJLK-UHFFFAOYSA-N
MW328.80 g/mol
LogP3.18
Rot. Bonds4

About 1-[(4-aminoquinazolin-2-yl)amino]-2-(2-chlorophenyl)propan-2-ol

1-[(4-aminoquinazolin-2-yl)amino]-2-(2-chlorophenyl)propan-2-ol (PubChem CID 133472174) has the molecular formula C17H17ClN4O and a molecular weight of 328.80 g/mol. Its IUPAC name is 1-[(4-aminoquinazolin-2-yl)amino]-2-(2-chlorophenyl)propan-2-ol.

Molecular Properties

Compound Name1-[(4-aminoquinazolin-2-yl)amino]-2-(2-chlorophenyl)propan-2-ol
PubChem CID133472174
Molecular FormulaC17H17ClN4O
Molecular Weight328.80 g/mol
Exact Mass328.11
IUPAC Name1-[(4-aminoquinazolin-2-yl)amino]-2-(2-chlorophenyl)propan-2-ol
SMILESCC(O)(CNc1nc(N)c2ccccc2n1)c1ccccc1Cl
InChIInChI=1S/C17H17ClN4O/c1-17(23,12-7-3-4-8-13(12)18)10-20-16-21-14-9-5-2-6-11(14)15(19)22-16/h2-9,23H,10H2,1H3,(H3,19,20,21,22)
InChIKeyDFWXCKWWHMLJLK-UHFFFAOYSA-N
XLogP3.18
TPSA84.06 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.80
LogP ≤ 53.18
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-[(4-aminoquinazolin-2-yl)amino]-2-(2-chlorophenyl)propan-2-ol?
The IUPAC name of 1-[(4-aminoquinazolin-2-yl)amino]-2-(2-chlorophenyl)propan-2-ol (CID 133472174) is 1-[(4-aminoquinazolin-2-yl)amino]-2-(2-chlorophenyl)propan-2-ol.
What is the SMILES notation for 1-[(4-aminoquinazolin-2-yl)amino]-2-(2-chlorophenyl)propan-2-ol?
The canonical SMILES for 1-[(4-aminoquinazolin-2-yl)amino]-2-(2-chlorophenyl)propan-2-ol is CC(O)(CNc1nc(N)c2ccccc2n1)c1ccccc1Cl.
What is the InChIKey of 1-[(4-aminoquinazolin-2-yl)amino]-2-(2-chlorophenyl)propan-2-ol?
The InChIKey is DFWXCKWWHMLJLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17ClN4O/c1-17(23,12-7-3-4-8-13(12)18)10-20-16-21-14-9-5-2-6-11(14)15(19)22-16/h2-9,23H,10H2,1H3,(H3,19,20,21,22).
What are the key properties of 1-[(4-aminoquinazolin-2-yl)amino]-2-(2-chlorophenyl)propan-2-ol?
1-[(4-aminoquinazolin-2-yl)amino]-2-(2-chlorophenyl)propan-2-ol has a molecular weight of 328.80 g/mol, XLogP of 3.18, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4-aminoquinazolin-2-yl)amino]-2-(2-chlorophenyl)propan-2-ol is sourced from PubChem (CID 133472174), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).