[2-[4-(cyclohexylamino)quinazolin-2-yl]-3-pyridinyl]-phenylmethanone

C26H24N4O — CID 23652838

IUPAC[2-[4-(cyclohexylamino)quinazolin-2-yl]-3-pyridinyl]-phenylmethanone
SMILESO=C(c1ccccc1)c1cccnc1-c1nc(NC2CCCCC2)c2ccccc2n1
InChIInChI=1S/C26H24N4O/c31-24(18-10-3-1-4-11-18)21-15-9-17-27-23(21)26-29-22-16-8-7-14-20(22)25(30-26)28-19-12-5-2-6-13-19/h1,3-4,7-11,14-17,19H,2,5-6,12-13H2,(H,28,29,30)
InChIKeyHTSYTHDIUMCBKH-UHFFFAOYSA-N
MW408.51 g/mol
LogP5.67
Rot. Bonds5

About [2-[4-(cyclohexylamino)quinazolin-2-yl]-3-pyridinyl]-phenylmethanone

[2-[4-(cyclohexylamino)quinazolin-2-yl]-3-pyridinyl]-phenylmethanone (PubChem CID 23652838) has the molecular formula C26H24N4O and a molecular weight of 408.51 g/mol. Its IUPAC name is [2-[4-(cyclohexylamino)quinazolin-2-yl]-3-pyridinyl]-phenylmethanone.

Molecular Properties

Compound Name[2-[4-(cyclohexylamino)quinazolin-2-yl]-3-pyridinyl]-phenylmethanone
PubChem CID23652838
Molecular FormulaC26H24N4O
Molecular Weight408.51 g/mol
Exact Mass408.20
IUPAC Name[2-[4-(cyclohexylamino)quinazolin-2-yl]-3-pyridinyl]-phenylmethanone
SMILESO=C(c1ccccc1)c1cccnc1-c1nc(NC2CCCCC2)c2ccccc2n1
InChIInChI=1S/C26H24N4O/c31-24(18-10-3-1-4-11-18)21-15-9-17-27-23(21)26-29-22-16-8-7-14-20(22)25(30-26)28-19-12-5-2-6-13-19/h1,3-4,7-11,14-17,19H,2,5-6,12-13H2,(H,28,29,30)
InChIKeyHTSYTHDIUMCBKH-UHFFFAOYSA-N
XLogP5.67
TPSA67.77 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500408.51
LogP ≤ 55.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-(cycloheptylamino)pyridine-3-carboxylic acid
CID 43236673
2-chloro-N-cycloheptylquinazolin-4-amine
CID 22692826
2-chloro-N-cyclododecylquinazolin-4-amine
CID 22692916
4-N-cyclooctylquinazoline-2,4-diamine
CID 80786546
2-[4-[[4-(methylamino)cyclohexyl]amino]quinazolin-2-yl]phenol
CID 143796174
4-N-cyclobutyl-2-N-methylquinazoline-2,4-diamine
CID 80826223
4-[(4-methylcyclohexyl)amino]quinazoline-2-carboxylic acid
CID 62406033
(4-cyclohexylquinolin-3-yl)-phenylmethanone
CID 71485260
[2-[2-[4-(cyclopentylamino)quinazolin-2-yl]phenyl]sulfanylphenyl]methanol
CID 59682609
[(3S)-3-[(2-phenylquinazolin-4-yl)amino]pyrrolidin-1-yl]-pyridin-2-ylmethanone
CID 97016537
2-[[4-(cyclopentylamino)quinazolin-2-yl]amino]phenol
CID 2229279
2-[4-(cyclohexylamino)quinazolin-2-yl]sulfanyl-N-(5-methyl-1H-pyrazol-3-yl)acetamide
CID 3656022

Frequently Asked Questions

What is the IUPAC name of [2-[4-(cyclohexylamino)quinazolin-2-yl]-3-pyridinyl]-phenylmethanone?
The IUPAC name of [2-[4-(cyclohexylamino)quinazolin-2-yl]-3-pyridinyl]-phenylmethanone (CID 23652838) is [2-[4-(cyclohexylamino)quinazolin-2-yl]-3-pyridinyl]-phenylmethanone.
What is the SMILES notation for [2-[4-(cyclohexylamino)quinazolin-2-yl]-3-pyridinyl]-phenylmethanone?
The canonical SMILES for [2-[4-(cyclohexylamino)quinazolin-2-yl]-3-pyridinyl]-phenylmethanone is O=C(c1ccccc1)c1cccnc1-c1nc(NC2CCCCC2)c2ccccc2n1.
What is the InChIKey of [2-[4-(cyclohexylamino)quinazolin-2-yl]-3-pyridinyl]-phenylmethanone?
The InChIKey is HTSYTHDIUMCBKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H24N4O/c31-24(18-10-3-1-4-11-18)21-15-9-17-27-23(21)26-29-22-16-8-7-14-20(22)25(30-26)28-19-12-5-2-6-13-19/h1,3-4,7-11,14-17,19H,2,5-6,12-13H2,(H,28,29,30).
What are the key properties of [2-[4-(cyclohexylamino)quinazolin-2-yl]-3-pyridinyl]-phenylmethanone?
[2-[4-(cyclohexylamino)quinazolin-2-yl]-3-pyridinyl]-phenylmethanone has a molecular weight of 408.51 g/mol, XLogP of 5.67, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[4-(cyclohexylamino)quinazolin-2-yl]-3-pyridinyl]-phenylmethanone is sourced from PubChem (CID 23652838), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).