2-[(2-chloroquinazolin-4-yl)amino]-3-hydroxypropanoic acid

C11H10ClN3O3 — CID 22693090

IUPAC2-[(2-chloroquinazolin-4-yl)amino]-3-hydroxypropanoic acid
SMILESO=C(O)C(CO)Nc1nc(Cl)nc2ccccc12
InChIInChI=1S/C11H10ClN3O3/c12-11-14-7-4-2-1-3-6(7)9(15-11)13-8(5-16)10(17)18/h1-4,8,16H,5H2,(H,17,18)(H,13,14,15)
InChIKeyWURNALXXPWLQEL-UHFFFAOYSA-N
MW267.67 g/mol
LogP1.14
Rot. Bonds4

About 2-[(2-chloroquinazolin-4-yl)amino]-3-hydroxypropanoic acid

2-[(2-chloroquinazolin-4-yl)amino]-3-hydroxypropanoic acid (PubChem CID 22693090) has the molecular formula C11H10ClN3O3 and a molecular weight of 267.67 g/mol. Its IUPAC name is 2-[(2-chloroquinazolin-4-yl)amino]-3-hydroxypropanoic acid.

Molecular Properties

Compound Name2-[(2-chloroquinazolin-4-yl)amino]-3-hydroxypropanoic acid
PubChem CID22693090
Molecular FormulaC11H10ClN3O3
Molecular Weight267.67 g/mol
Exact Mass267.04
IUPAC Name2-[(2-chloroquinazolin-4-yl)amino]-3-hydroxypropanoic acid
SMILESO=C(O)C(CO)Nc1nc(Cl)nc2ccccc12
InChIInChI=1S/C11H10ClN3O3/c12-11-14-7-4-2-1-3-6(7)9(15-11)13-8(5-16)10(17)18/h1-4,8,16H,5H2,(H,17,18)(H,13,14,15)
InChIKeyWURNALXXPWLQEL-UHFFFAOYSA-N
XLogP1.14
TPSA95.34 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.67
LogP ≤ 51.14
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[(2-chloroquinazolin-4-yl)amino]-3-hydroxypropanoic acid?
The IUPAC name of 2-[(2-chloroquinazolin-4-yl)amino]-3-hydroxypropanoic acid (CID 22693090) is 2-[(2-chloroquinazolin-4-yl)amino]-3-hydroxypropanoic acid.
What is the SMILES notation for 2-[(2-chloroquinazolin-4-yl)amino]-3-hydroxypropanoic acid?
The canonical SMILES for 2-[(2-chloroquinazolin-4-yl)amino]-3-hydroxypropanoic acid is O=C(O)C(CO)Nc1nc(Cl)nc2ccccc12.
What is the InChIKey of 2-[(2-chloroquinazolin-4-yl)amino]-3-hydroxypropanoic acid?
The InChIKey is WURNALXXPWLQEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10ClN3O3/c12-11-14-7-4-2-1-3-6(7)9(15-11)13-8(5-16)10(17)18/h1-4,8,16H,5H2,(H,17,18)(H,13,14,15).
What are the key properties of 2-[(2-chloroquinazolin-4-yl)amino]-3-hydroxypropanoic acid?
2-[(2-chloroquinazolin-4-yl)amino]-3-hydroxypropanoic acid has a molecular weight of 267.67 g/mol, XLogP of 1.14, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-chloroquinazolin-4-yl)amino]-3-hydroxypropanoic acid is sourced from PubChem (CID 22693090), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).