2-(4-chlorophenyl)-N-(2,4-diaminoquinazolin-6-yl)acetamide

C16H14ClN5O — CID 600456

IUPAC2-(4-chlorophenyl)-N-(2,4-diaminoquinazolin-6-yl)acetamide
SMILESNc1nc(N)c2cc(NC(=O)Cc3ccc(Cl)cc3)ccc2n1
InChIInChI=1S/C16H14ClN5O/c17-10-3-1-9(2-4-10)7-14(23)20-11-5-6-13-12(8-11)15(18)22-16(19)21-13/h1-6,8H,7H2,(H,20,23)(H4,18,19,21,22)
InChIKeyYZGNBVHOUIRZIQ-UHFFFAOYSA-N
MW327.78 g/mol
LogP2.63
Rot. Bonds3

About 2-(4-chlorophenyl)-N-(2,4-diaminoquinazolin-6-yl)acetamide

2-(4-chlorophenyl)-N-(2,4-diaminoquinazolin-6-yl)acetamide (PubChem CID 600456) has the molecular formula C16H14ClN5O and a molecular weight of 327.78 g/mol. Its IUPAC name is 2-(4-chlorophenyl)-N-(2,4-diaminoquinazolin-6-yl)acetamide.

Molecular Properties

Compound Name2-(4-chlorophenyl)-N-(2,4-diaminoquinazolin-6-yl)acetamide
PubChem CID600456
Molecular FormulaC16H14ClN5O
Molecular Weight327.78 g/mol
Exact Mass327.09
IUPAC Name2-(4-chlorophenyl)-N-(2,4-diaminoquinazolin-6-yl)acetamide
SMILESNc1nc(N)c2cc(NC(=O)Cc3ccc(Cl)cc3)ccc2n1
InChIInChI=1S/C16H14ClN5O/c17-10-3-1-9(2-4-10)7-14(23)20-11-5-6-13-12(8-11)15(18)22-16(19)21-13/h1-6,8H,7H2,(H,20,23)(H4,18,19,21,22)
InChIKeyYZGNBVHOUIRZIQ-UHFFFAOYSA-N
XLogP2.63
TPSA106.92 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.78
LogP ≤ 52.63
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(4-chlorophenyl)-N-(2,4-diaminoquinazolin-6-yl)acetamide?
The IUPAC name of 2-(4-chlorophenyl)-N-(2,4-diaminoquinazolin-6-yl)acetamide (CID 600456) is 2-(4-chlorophenyl)-N-(2,4-diaminoquinazolin-6-yl)acetamide.
What is the SMILES notation for 2-(4-chlorophenyl)-N-(2,4-diaminoquinazolin-6-yl)acetamide?
The canonical SMILES for 2-(4-chlorophenyl)-N-(2,4-diaminoquinazolin-6-yl)acetamide is Nc1nc(N)c2cc(NC(=O)Cc3ccc(Cl)cc3)ccc2n1.
What is the InChIKey of 2-(4-chlorophenyl)-N-(2,4-diaminoquinazolin-6-yl)acetamide?
The InChIKey is YZGNBVHOUIRZIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14ClN5O/c17-10-3-1-9(2-4-10)7-14(23)20-11-5-6-13-12(8-11)15(18)22-16(19)21-13/h1-6,8H,7H2,(H,20,23)(H4,18,19,21,22).
What are the key properties of 2-(4-chlorophenyl)-N-(2,4-diaminoquinazolin-6-yl)acetamide?
2-(4-chlorophenyl)-N-(2,4-diaminoquinazolin-6-yl)acetamide has a molecular weight of 327.78 g/mol, XLogP of 2.63, 3 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chlorophenyl)-N-(2,4-diaminoquinazolin-6-yl)acetamide is sourced from PubChem (CID 600456), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).