N-[3-[(2-phenylquinazolin-4-yl)amino]phenyl]acetamide

C22H18N4O — CID 2549745

IUPACN-[3-[(2-phenylquinazolin-4-yl)amino]phenyl]acetamide
SMILESCC(=O)Nc1cccc(Nc2nc(-c3ccccc3)nc3ccccc23)c1
InChIInChI=1S/C22H18N4O/c1-15(27)23-17-10-7-11-18(14-17)24-22-19-12-5-6-13-20(19)25-21(26-22)16-8-3-2-4-9-16/h2-14H,1H3,(H,23,27)(H,24,25,26)
InChIKeyIBCJHQBSQYNQJM-UHFFFAOYSA-N
MW354.41 g/mol
LogP5.00
Rot. Bonds4

About N-[3-[(2-phenylquinazolin-4-yl)amino]phenyl]acetamide

N-[3-[(2-phenylquinazolin-4-yl)amino]phenyl]acetamide (PubChem CID 2549745) has the molecular formula C22H18N4O and a molecular weight of 354.41 g/mol. Its IUPAC name is N-[3-[(2-phenylquinazolin-4-yl)amino]phenyl]acetamide.

Molecular Properties

Compound NameN-[3-[(2-phenylquinazolin-4-yl)amino]phenyl]acetamide
PubChem CID2549745
Molecular FormulaC22H18N4O
Molecular Weight354.41 g/mol
Exact Mass354.15
IUPAC NameN-[3-[(2-phenylquinazolin-4-yl)amino]phenyl]acetamide
SMILESCC(=O)Nc1cccc(Nc2nc(-c3ccccc3)nc3ccccc23)c1
InChIInChI=1S/C22H18N4O/c1-15(27)23-17-10-7-11-18(14-17)24-22-19-12-5-6-13-20(19)25-21(26-22)16-8-3-2-4-9-16/h2-14H,1H3,(H,23,27)(H,24,25,26)
InChIKeyIBCJHQBSQYNQJM-UHFFFAOYSA-N
XLogP5.00
TPSA66.91 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.41
LogP ≤ 55.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[3-[(2-phenylquinazolin-4-yl)amino]phenyl]acetamide?
The IUPAC name of N-[3-[(2-phenylquinazolin-4-yl)amino]phenyl]acetamide (CID 2549745) is N-[3-[(2-phenylquinazolin-4-yl)amino]phenyl]acetamide.
What is the SMILES notation for N-[3-[(2-phenylquinazolin-4-yl)amino]phenyl]acetamide?
The canonical SMILES for N-[3-[(2-phenylquinazolin-4-yl)amino]phenyl]acetamide is CC(=O)Nc1cccc(Nc2nc(-c3ccccc3)nc3ccccc23)c1.
What is the InChIKey of N-[3-[(2-phenylquinazolin-4-yl)amino]phenyl]acetamide?
The InChIKey is IBCJHQBSQYNQJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H18N4O/c1-15(27)23-17-10-7-11-18(14-17)24-22-19-12-5-6-13-20(19)25-21(26-22)16-8-3-2-4-9-16/h2-14H,1H3,(H,23,27)(H,24,25,26).
What are the key properties of N-[3-[(2-phenylquinazolin-4-yl)amino]phenyl]acetamide?
N-[3-[(2-phenylquinazolin-4-yl)amino]phenyl]acetamide has a molecular weight of 354.41 g/mol, XLogP of 5.00, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[(2-phenylquinazolin-4-yl)amino]phenyl]acetamide is sourced from PubChem (CID 2549745), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).