N-[4-(cyclohexylamino)-6-(4-fluorophenyl)quinazolin-2-yl]acetamide

C22H23FN4O — CID 69012164

IUPACN-[4-(cyclohexylamino)-6-(4-fluorophenyl)quinazolin-2-yl]acetamide
SMILESCC(=O)Nc1nc(NC2CCCCC2)c2cc(-c3ccc(F)cc3)ccc2n1
InChIInChI=1S/C22H23FN4O/c1-14(28)24-22-26-20-12-9-16(15-7-10-17(23)11-8-15)13-19(20)21(27-22)25-18-5-3-2-4-6-18/h7-13,18H,2-6H2,1H3,(H2,24,25,26,27,28)
InChIKeyIAIXRKWMXCURMG-UHFFFAOYSA-N
MW378.45 g/mol
LogP5.14
Rot. Bonds4

About N-[4-(cyclohexylamino)-6-(4-fluorophenyl)quinazolin-2-yl]acetamide

N-[4-(cyclohexylamino)-6-(4-fluorophenyl)quinazolin-2-yl]acetamide (PubChem CID 69012164) has the molecular formula C22H23FN4O and a molecular weight of 378.45 g/mol. Its IUPAC name is N-[4-(cyclohexylamino)-6-(4-fluorophenyl)quinazolin-2-yl]acetamide.

Molecular Properties

Compound NameN-[4-(cyclohexylamino)-6-(4-fluorophenyl)quinazolin-2-yl]acetamide
PubChem CID69012164
Molecular FormulaC22H23FN4O
Molecular Weight378.45 g/mol
Exact Mass378.19
IUPAC NameN-[4-(cyclohexylamino)-6-(4-fluorophenyl)quinazolin-2-yl]acetamide
SMILESCC(=O)Nc1nc(NC2CCCCC2)c2cc(-c3ccc(F)cc3)ccc2n1
InChIInChI=1S/C22H23FN4O/c1-14(28)24-22-26-20-12-9-16(15-7-10-17(23)11-8-15)13-19(20)21(27-22)25-18-5-3-2-4-6-18/h7-13,18H,2-6H2,1H3,(H2,24,25,26,27,28)
InChIKeyIAIXRKWMXCURMG-UHFFFAOYSA-N
XLogP5.14
TPSA66.91 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500378.45
LogP ≤ 55.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[4-[2-acetamido-4-(cyclopropylamino)quinazolin-6-yl]phenyl]acetamide
CID 69014977
N-[6-(4-fluorophenyl)-4-piperidin-1-ylquinazolin-2-yl]acetamide
CID 69014897
N-[4-(dimethylamino)-6-(4-fluorophenyl)quinazolin-2-yl]acetamide
CID 24810354
4-N-cyclohexyl-6-(4-phenylphenyl)quinazoline-2,4-diamine
CID 69014350
N-[6-(4-fluorophenyl)-4-(1,2,4-triazol-1-yl)quinazolin-2-yl]acetamide
CID 70880579
ethyl 4-[2-amino-4-(cyclohexylamino)quinazolin-6-yl]-2-hydroxybenzoate
CID 69016838
N-[6-(4-fluorophenyl)-4-(2-morpholin-4-ylethoxy)quinazolin-2-yl]acetamide
CID 68601586
6-(6-bromo-3-pyridinyl)-4-N-cyclohexylquinazoline-2,4-diamine
CID 87658802
4-N-cyclohexyl-6-[3-(dimethylamino)phenyl]quinazoline-2,4-diamine
CID 69015335
6-(6-bromo-5-methyl-3-pyridinyl)-4-N-cyclohexylquinazoline-2,4-diamine
CID 87656658
4-N-cyclohexyl-6-(3,5-dimethyl-1,2-oxazol-4-yl)quinazoline-2,4-diamine
CID 69014628
N-[4-(butylamino)-6-(4-chlorophenyl)quinazolin-2-yl]acetamide
CID 69015295

Frequently Asked Questions

What is the IUPAC name of N-[4-(cyclohexylamino)-6-(4-fluorophenyl)quinazolin-2-yl]acetamide?
The IUPAC name of N-[4-(cyclohexylamino)-6-(4-fluorophenyl)quinazolin-2-yl]acetamide (CID 69012164) is N-[4-(cyclohexylamino)-6-(4-fluorophenyl)quinazolin-2-yl]acetamide.
What is the SMILES notation for N-[4-(cyclohexylamino)-6-(4-fluorophenyl)quinazolin-2-yl]acetamide?
The canonical SMILES for N-[4-(cyclohexylamino)-6-(4-fluorophenyl)quinazolin-2-yl]acetamide is CC(=O)Nc1nc(NC2CCCCC2)c2cc(-c3ccc(F)cc3)ccc2n1.
What is the InChIKey of N-[4-(cyclohexylamino)-6-(4-fluorophenyl)quinazolin-2-yl]acetamide?
The InChIKey is IAIXRKWMXCURMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23FN4O/c1-14(28)24-22-26-20-12-9-16(15-7-10-17(23)11-8-15)13-19(20)21(27-22)25-18-5-3-2-4-6-18/h7-13,18H,2-6H2,1H3,(H2,24,25,26,27,28).
What are the key properties of N-[4-(cyclohexylamino)-6-(4-fluorophenyl)quinazolin-2-yl]acetamide?
N-[4-(cyclohexylamino)-6-(4-fluorophenyl)quinazolin-2-yl]acetamide has a molecular weight of 378.45 g/mol, XLogP of 5.14, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(cyclohexylamino)-6-(4-fluorophenyl)quinazolin-2-yl]acetamide is sourced from PubChem (CID 69012164), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).