2-acetamido-N-phenylquinazoline-4-carboxamide

C17H14N4O2 — CID 24749707

IUPAC2-acetamido-N-phenylquinazoline-4-carboxamide
SMILESCC(=O)Nc1nc(C(=O)Nc2ccccc2)c2ccccc2n1
InChIInChI=1S/C17H14N4O2/c1-11(22)18-17-20-14-10-6-5-9-13(14)15(21-17)16(23)19-12-7-3-2-4-8-12/h2-10H,1H3,(H,19,23)(H,18,20,21,22)
InChIKeyBQZOPXKHGPNWQR-UHFFFAOYSA-N
MW306.33 g/mol
LogP2.84
Rot. Bonds3

About 2-acetamido-N-phenylquinazoline-4-carboxamide

2-acetamido-N-phenylquinazoline-4-carboxamide (PubChem CID 24749707) has the molecular formula C17H14N4O2 and a molecular weight of 306.33 g/mol. Its IUPAC name is 2-acetamido-N-phenylquinazoline-4-carboxamide.

Molecular Properties

Compound Name2-acetamido-N-phenylquinazoline-4-carboxamide
PubChem CID24749707
Molecular FormulaC17H14N4O2
Molecular Weight306.33 g/mol
Exact Mass306.11
IUPAC Name2-acetamido-N-phenylquinazoline-4-carboxamide
SMILESCC(=O)Nc1nc(C(=O)Nc2ccccc2)c2ccccc2n1
InChIInChI=1S/C17H14N4O2/c1-11(22)18-17-20-14-10-6-5-9-13(14)15(21-17)16(23)19-12-7-3-2-4-8-12/h2-10H,1H3,(H,19,23)(H,18,20,21,22)
InChIKeyBQZOPXKHGPNWQR-UHFFFAOYSA-N
XLogP2.84
TPSA83.98 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.33
LogP ≤ 52.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-acetamido-N-phenylquinazoline-4-carboxamide?
The IUPAC name of 2-acetamido-N-phenylquinazoline-4-carboxamide (CID 24749707) is 2-acetamido-N-phenylquinazoline-4-carboxamide.
What is the SMILES notation for 2-acetamido-N-phenylquinazoline-4-carboxamide?
The canonical SMILES for 2-acetamido-N-phenylquinazoline-4-carboxamide is CC(=O)Nc1nc(C(=O)Nc2ccccc2)c2ccccc2n1.
What is the InChIKey of 2-acetamido-N-phenylquinazoline-4-carboxamide?
The InChIKey is BQZOPXKHGPNWQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14N4O2/c1-11(22)18-17-20-14-10-6-5-9-13(14)15(21-17)16(23)19-12-7-3-2-4-8-12/h2-10H,1H3,(H,19,23)(H,18,20,21,22).
What are the key properties of 2-acetamido-N-phenylquinazoline-4-carboxamide?
2-acetamido-N-phenylquinazoline-4-carboxamide has a molecular weight of 306.33 g/mol, XLogP of 2.84, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-acetamido-N-phenylquinazoline-4-carboxamide is sourced from PubChem (CID 24749707), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).