2-amino-N-(4-methylphenyl)quinazoline-4-carboxamide

C16H14N4O — CID 24749594

IUPAC2-amino-N-(4-methylphenyl)quinazoline-4-carboxamide
SMILESCc1ccc(NC(=O)c2nc(N)nc3ccccc23)cc1
InChIInChI=1S/C16H14N4O/c1-10-6-8-11(9-7-10)18-15(21)14-12-4-2-3-5-13(12)19-16(17)20-14/h2-9H,1H3,(H,18,21)(H2,17,19,20)
InChIKeyJMTYAQKKAFVFGX-UHFFFAOYSA-N
MW278.32 g/mol
LogP2.77
Rot. Bonds2

About 2-amino-N-(4-methylphenyl)quinazoline-4-carboxamide

2-amino-N-(4-methylphenyl)quinazoline-4-carboxamide (PubChem CID 24749594) has the molecular formula C16H14N4O and a molecular weight of 278.32 g/mol. Its IUPAC name is 2-amino-N-(4-methylphenyl)quinazoline-4-carboxamide.

Molecular Properties

Compound Name2-amino-N-(4-methylphenyl)quinazoline-4-carboxamide
PubChem CID24749594
Molecular FormulaC16H14N4O
Molecular Weight278.32 g/mol
Exact Mass278.12
IUPAC Name2-amino-N-(4-methylphenyl)quinazoline-4-carboxamide
SMILESCc1ccc(NC(=O)c2nc(N)nc3ccccc23)cc1
InChIInChI=1S/C16H14N4O/c1-10-6-8-11(9-7-10)18-15(21)14-12-4-2-3-5-13(12)19-16(17)20-14/h2-9H,1H3,(H,18,21)(H2,17,19,20)
InChIKeyJMTYAQKKAFVFGX-UHFFFAOYSA-N
XLogP2.77
TPSA80.90 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.32
LogP ≤ 52.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-amino-N-(4-methylphenyl)quinazoline-4-carboxamide?
The IUPAC name of 2-amino-N-(4-methylphenyl)quinazoline-4-carboxamide (CID 24749594) is 2-amino-N-(4-methylphenyl)quinazoline-4-carboxamide.
What is the SMILES notation for 2-amino-N-(4-methylphenyl)quinazoline-4-carboxamide?
The canonical SMILES for 2-amino-N-(4-methylphenyl)quinazoline-4-carboxamide is Cc1ccc(NC(=O)c2nc(N)nc3ccccc23)cc1.
What is the InChIKey of 2-amino-N-(4-methylphenyl)quinazoline-4-carboxamide?
The InChIKey is JMTYAQKKAFVFGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14N4O/c1-10-6-8-11(9-7-10)18-15(21)14-12-4-2-3-5-13(12)19-16(17)20-14/h2-9H,1H3,(H,18,21)(H2,17,19,20).
What are the key properties of 2-amino-N-(4-methylphenyl)quinazoline-4-carboxamide?
2-amino-N-(4-methylphenyl)quinazoline-4-carboxamide has a molecular weight of 278.32 g/mol, XLogP of 2.77, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-(4-methylphenyl)quinazoline-4-carboxamide is sourced from PubChem (CID 24749594), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).