[2-[2-chloro-6-[4-(cyclopentylamino)quinazolin-2-yl]phenyl]sulfanylphenyl]methanol

C26H24ClN3OS — CID 59682691

IUPAC[2-[2-chloro-6-[4-(cyclopentylamino)quinazolin-2-yl]phenyl]sulfanylphenyl]methanol
SMILESOCc1ccccc1Sc1c(Cl)cccc1-c1nc(NC2CCCC2)c2ccccc2n1
InChIInChI=1S/C26H24ClN3OS/c27-21-13-7-12-20(24(21)32-23-15-6-1-8-17(23)16-31)26-29-22-14-5-4-11-19(22)25(30-26)28-18-9-2-3-10-18/h1,4-8,11-15,18,31H,2-3,9-10,16H2,(H,28,29,30)
InChIKeyBPSNFOLKELFCOW-UHFFFAOYSA-N
MW462.02 g/mol
LogP6.95
Rot. Bonds6

About [2-[2-chloro-6-[4-(cyclopentylamino)quinazolin-2-yl]phenyl]sulfanylphenyl]methanol

[2-[2-chloro-6-[4-(cyclopentylamino)quinazolin-2-yl]phenyl]sulfanylphenyl]methanol (PubChem CID 59682691) has the molecular formula C26H24ClN3OS and a molecular weight of 462.02 g/mol. Its IUPAC name is [2-[2-chloro-6-[4-(cyclopentylamino)quinazolin-2-yl]phenyl]sulfanylphenyl]methanol.

Molecular Properties

Compound Name[2-[2-chloro-6-[4-(cyclopentylamino)quinazolin-2-yl]phenyl]sulfanylphenyl]methanol
PubChem CID59682691
Molecular FormulaC26H24ClN3OS
Molecular Weight462.02 g/mol
Exact Mass461.13
IUPAC Name[2-[2-chloro-6-[4-(cyclopentylamino)quinazolin-2-yl]phenyl]sulfanylphenyl]methanol
SMILESOCc1ccccc1Sc1c(Cl)cccc1-c1nc(NC2CCCC2)c2ccccc2n1
InChIInChI=1S/C26H24ClN3OS/c27-21-13-7-12-20(24(21)32-23-15-6-1-8-17(23)16-31)26-29-22-14-5-4-11-19(22)25(30-26)28-18-9-2-3-10-18/h1,4-8,11-15,18,31H,2-3,9-10,16H2,(H,28,29,30)
InChIKeyBPSNFOLKELFCOW-UHFFFAOYSA-N
XLogP6.95
TPSA58.04 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500462.02
LogP ≤ 56.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

[2-[2-[4-(cyclopentylamino)quinazolin-2-yl]phenyl]sulfanylphenyl]methanol
CID 59682609
2-chloro-N-cycloheptylquinazolin-4-amine
CID 22692826
2-chloro-N-cyclododecylquinazolin-4-amine
CID 22692916
2-[4-[[4-(methylamino)cyclohexyl]amino]quinazolin-2-yl]phenol
CID 143796174
[2-[2-[[(2-cyclobutylquinazolin-4-yl)amino]methyl]phenyl]sulfanylphenyl]methanol
CID 56688785
4-[[2-[[2-[2-(hydroxymethyl)phenyl]sulfanylphenyl]methylamino]quinazolin-4-yl]amino]piperidine-1-sulfonamide
CID 58966869
2-N-[(2-chloro-6-phenoxyphenyl)methyl]-4-N-cyclopentylquinazoline-2,4-diamine;4-N-cyclopentyl-2-N-[[4-(4-fluorophenoxy)phenyl]methyl]quinazoline-2,4-diamine;4-N-cyclopentyl-2-N-[[2-(4-methylphenoxy)phenyl]methyl]quinazoline-2,4-diamine;[2-[2-[[[4-(pentan-3-ylamino)quinazolin-2-yl]amino]methyl]phenyl]sulfanylphenyl]methanol
CID 158318490
2-(2-chlorophenyl)-N-(2-methylpropyl)quinazolin-4-amine
CID 727473
4-N-cyclooctylquinazoline-2,4-diamine
CID 80786546
4-N-cyclohexyl-2-N-[(2-fluorophenyl)methyl]quinazoline-2,4-diamine
CID 134106271
2-[4-[[(3S)-1-benzylpyrrolidin-3-yl]amino]quinazolin-2-yl]phenol
CID 135921332
2-(2-chlorophenoxy)-1-[4-[4-(cyclopentylamino)quinazolin-2-yl]piperazin-1-yl]ethanone
CID 59682659

Frequently Asked Questions

What is the IUPAC name of [2-[2-chloro-6-[4-(cyclopentylamino)quinazolin-2-yl]phenyl]sulfanylphenyl]methanol?
The IUPAC name of [2-[2-chloro-6-[4-(cyclopentylamino)quinazolin-2-yl]phenyl]sulfanylphenyl]methanol (CID 59682691) is [2-[2-chloro-6-[4-(cyclopentylamino)quinazolin-2-yl]phenyl]sulfanylphenyl]methanol.
What is the SMILES notation for [2-[2-chloro-6-[4-(cyclopentylamino)quinazolin-2-yl]phenyl]sulfanylphenyl]methanol?
The canonical SMILES for [2-[2-chloro-6-[4-(cyclopentylamino)quinazolin-2-yl]phenyl]sulfanylphenyl]methanol is OCc1ccccc1Sc1c(Cl)cccc1-c1nc(NC2CCCC2)c2ccccc2n1.
What is the InChIKey of [2-[2-chloro-6-[4-(cyclopentylamino)quinazolin-2-yl]phenyl]sulfanylphenyl]methanol?
The InChIKey is BPSNFOLKELFCOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H24ClN3OS/c27-21-13-7-12-20(24(21)32-23-15-6-1-8-17(23)16-31)26-29-22-14-5-4-11-19(22)25(30-26)28-18-9-2-3-10-18/h1,4-8,11-15,18,31H,2-3,9-10,16H2,(H,28,29,30).
What are the key properties of [2-[2-chloro-6-[4-(cyclopentylamino)quinazolin-2-yl]phenyl]sulfanylphenyl]methanol?
[2-[2-chloro-6-[4-(cyclopentylamino)quinazolin-2-yl]phenyl]sulfanylphenyl]methanol has a molecular weight of 462.02 g/mol, XLogP of 6.95, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[2-chloro-6-[4-(cyclopentylamino)quinazolin-2-yl]phenyl]sulfanylphenyl]methanol is sourced from PubChem (CID 59682691), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).