2-[(7-chloroquinazolin-4-yl)amino]-2-phenylacetamide

C16H13ClN4O — CID 86920499

IUPAC2-[(7-chloroquinazolin-4-yl)amino]-2-phenylacetamide
SMILESNC(=O)C(Nc1ncnc2cc(Cl)ccc12)c1ccccc1
InChIInChI=1S/C16H13ClN4O/c17-11-6-7-12-13(8-11)19-9-20-16(12)21-14(15(18)22)10-4-2-1-3-5-10/h1-9,14H,(H2,18,22)(H,19,20,21)
InChIKeyZUIACEIOTMLQBO-UHFFFAOYSA-N
MW312.76 g/mol
LogP2.92
Rot. Bonds4

About 2-[(7-chloroquinazolin-4-yl)amino]-2-phenylacetamide

2-[(7-chloroquinazolin-4-yl)amino]-2-phenylacetamide (PubChem CID 86920499) has the molecular formula C16H13ClN4O and a molecular weight of 312.76 g/mol. Its IUPAC name is 2-[(7-chloroquinazolin-4-yl)amino]-2-phenylacetamide.

Molecular Properties

Compound Name2-[(7-chloroquinazolin-4-yl)amino]-2-phenylacetamide
PubChem CID86920499
Molecular FormulaC16H13ClN4O
Molecular Weight312.76 g/mol
Exact Mass312.08
IUPAC Name2-[(7-chloroquinazolin-4-yl)amino]-2-phenylacetamide
SMILESNC(=O)C(Nc1ncnc2cc(Cl)ccc12)c1ccccc1
InChIInChI=1S/C16H13ClN4O/c17-11-6-7-12-13(8-11)19-9-20-16(12)21-14(15(18)22)10-4-2-1-3-5-10/h1-9,14H,(H2,18,22)(H,19,20,21)
InChIKeyZUIACEIOTMLQBO-UHFFFAOYSA-N
XLogP2.92
TPSA80.90 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.76
LogP ≤ 52.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[(7-chloroquinazolin-4-yl)amino]-2-phenylacetamide?
The IUPAC name of 2-[(7-chloroquinazolin-4-yl)amino]-2-phenylacetamide (CID 86920499) is 2-[(7-chloroquinazolin-4-yl)amino]-2-phenylacetamide.
What is the SMILES notation for 2-[(7-chloroquinazolin-4-yl)amino]-2-phenylacetamide?
The canonical SMILES for 2-[(7-chloroquinazolin-4-yl)amino]-2-phenylacetamide is NC(=O)C(Nc1ncnc2cc(Cl)ccc12)c1ccccc1.
What is the InChIKey of 2-[(7-chloroquinazolin-4-yl)amino]-2-phenylacetamide?
The InChIKey is ZUIACEIOTMLQBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13ClN4O/c17-11-6-7-12-13(8-11)19-9-20-16(12)21-14(15(18)22)10-4-2-1-3-5-10/h1-9,14H,(H2,18,22)(H,19,20,21).
What are the key properties of 2-[(7-chloroquinazolin-4-yl)amino]-2-phenylacetamide?
2-[(7-chloroquinazolin-4-yl)amino]-2-phenylacetamide has a molecular weight of 312.76 g/mol, XLogP of 2.92, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(7-chloroquinazolin-4-yl)amino]-2-phenylacetamide is sourced from PubChem (CID 86920499), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).