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

C22H19N5O — CID 71690531

IUPACN-[3-[(4-anilinoquinazolin-2-yl)amino]phenyl]acetamide
SMILESCC(=O)Nc1cccc(Nc2nc(Nc3ccccc3)c3ccccc3n2)c1
InChIInChI=1S/C22H19N5O/c1-15(28)23-17-10-7-11-18(14-17)25-22-26-20-13-6-5-12-19(20)21(27-22)24-16-8-3-2-4-9-16/h2-14H,1H3,(H,23,28)(H2,24,25,26,27)
InChIKeyLMYVZFDNDIUIMM-UHFFFAOYSA-N
MW369.43 g/mol
LogP5.08
Rot. Bonds5

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

N-[3-[(4-anilinoquinazolin-2-yl)amino]phenyl]acetamide (PubChem CID 71690531) has the molecular formula C22H19N5O and a molecular weight of 369.43 g/mol. Its IUPAC name is N-[3-[(4-anilinoquinazolin-2-yl)amino]phenyl]acetamide.

Molecular Properties

Compound NameN-[3-[(4-anilinoquinazolin-2-yl)amino]phenyl]acetamide
PubChem CID71690531
Molecular FormulaC22H19N5O
Molecular Weight369.43 g/mol
Exact Mass369.16
IUPAC NameN-[3-[(4-anilinoquinazolin-2-yl)amino]phenyl]acetamide
SMILESCC(=O)Nc1cccc(Nc2nc(Nc3ccccc3)c3ccccc3n2)c1
InChIInChI=1S/C22H19N5O/c1-15(28)23-17-10-7-11-18(14-17)25-22-26-20-13-6-5-12-19(20)21(27-22)24-16-8-3-2-4-9-16/h2-14H,1H3,(H,23,28)(H2,24,25,26,27)
InChIKeyLMYVZFDNDIUIMM-UHFFFAOYSA-N
XLogP5.08
TPSA78.94 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500369.43
LogP ≤ 55.08
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

N-(4-anilinoquinazolin-2-yl)acetamide
CID 69107194
2-[[2-(3-acetamidoanilino)quinazolin-4-yl]amino]acetic acid
CID 91963942
N-[3-[[4-(dimethylamino)quinazolin-2-yl]amino]phenyl]acetamide;hydrochloride
CID 52995658
2-N-(3-methylphenyl)-4-N-phenylquinazoline-2,4-diamine
CID 71690518
2-N-(3-chlorophenyl)-4-N-phenylquinazoline-2,4-diamine
CID 46850879
3-[[4-(4-methoxyanilino)quinazolin-2-yl]amino]benzoic acid
CID 71691164
N-[3-[[4-[[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]amino]quinazolin-2-yl]amino]phenyl]acetamide
CID 175678392
methyl 3-[[4-(4-methylanilino)quinazolin-2-yl]amino]benzoate
CID 71690613
1-[3-[[4-(cyclopropylamino)quinazolin-2-yl]amino]phenyl]ethanone
CID 50946478
N-[4-[[4-(3-hydroxypropylamino)quinazolin-2-yl]amino]phenyl]acetamide
CID 50944617
2-N-(3,5-dichlorophenyl)-4-N-phenylquinazoline-2,4-diamine
CID 71690550
1-[3-[[4-[(4-fluorophenyl)methylamino]quinazolin-2-yl]amino]phenyl]ethanone
CID 91963399

Frequently Asked Questions

What is the IUPAC name of N-[3-[(4-anilinoquinazolin-2-yl)amino]phenyl]acetamide?
The IUPAC name of N-[3-[(4-anilinoquinazolin-2-yl)amino]phenyl]acetamide (CID 71690531) is N-[3-[(4-anilinoquinazolin-2-yl)amino]phenyl]acetamide.
What is the SMILES notation for N-[3-[(4-anilinoquinazolin-2-yl)amino]phenyl]acetamide?
The canonical SMILES for N-[3-[(4-anilinoquinazolin-2-yl)amino]phenyl]acetamide is CC(=O)Nc1cccc(Nc2nc(Nc3ccccc3)c3ccccc3n2)c1.
What is the InChIKey of N-[3-[(4-anilinoquinazolin-2-yl)amino]phenyl]acetamide?
The InChIKey is LMYVZFDNDIUIMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19N5O/c1-15(28)23-17-10-7-11-18(14-17)25-22-26-20-13-6-5-12-19(20)21(27-22)24-16-8-3-2-4-9-16/h2-14H,1H3,(H,23,28)(H2,24,25,26,27).
What are the key properties of N-[3-[(4-anilinoquinazolin-2-yl)amino]phenyl]acetamide?
N-[3-[(4-anilinoquinazolin-2-yl)amino]phenyl]acetamide has a molecular weight of 369.43 g/mol, XLogP of 5.08, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[(4-anilinoquinazolin-2-yl)amino]phenyl]acetamide is sourced from PubChem (CID 71690531), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).