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

C26H25N3OS — CID 59682609

IUPAC[2-[2-[4-(cyclopentylamino)quinazolin-2-yl]phenyl]sulfanylphenyl]methanol
SMILESOCc1ccccc1Sc1ccccc1-c1nc(NC2CCCC2)c2ccccc2n1
InChIInChI=1S/C26H25N3OS/c30-17-18-9-1-7-15-23(18)31-24-16-8-5-13-21(24)26-28-22-14-6-4-12-20(22)25(29-26)27-19-10-2-3-11-19/h1,4-9,12-16,19,30H,2-3,10-11,17H2,(H,27,28,29)
InChIKeyAARGZBMBLGDKEM-UHFFFAOYSA-N
MW427.57 g/mol
LogP6.29
Rot. Bonds6

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

[2-[2-[4-(cyclopentylamino)quinazolin-2-yl]phenyl]sulfanylphenyl]methanol (PubChem CID 59682609) has the molecular formula C26H25N3OS and a molecular weight of 427.57 g/mol. Its IUPAC name is [2-[2-[4-(cyclopentylamino)quinazolin-2-yl]phenyl]sulfanylphenyl]methanol.

Molecular Properties

Compound Name[2-[2-[4-(cyclopentylamino)quinazolin-2-yl]phenyl]sulfanylphenyl]methanol
PubChem CID59682609
Molecular FormulaC26H25N3OS
Molecular Weight427.57 g/mol
Exact Mass427.17
IUPAC Name[2-[2-[4-(cyclopentylamino)quinazolin-2-yl]phenyl]sulfanylphenyl]methanol
SMILESOCc1ccccc1Sc1ccccc1-c1nc(NC2CCCC2)c2ccccc2n1
InChIInChI=1S/C26H25N3OS/c30-17-18-9-1-7-15-23(18)31-24-16-8-5-13-21(24)26-28-22-14-6-4-12-20(22)25(29-26)27-19-10-2-3-11-19/h1,4-9,12-16,19,30H,2-3,10-11,17H2,(H,27,28,29)
InChIKeyAARGZBMBLGDKEM-UHFFFAOYSA-N
XLogP6.29
TPSA58.04 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500427.57
LogP ≤ 56.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

[2-[2-chloro-6-[4-(cyclopentylamino)quinazolin-2-yl]phenyl]sulfanylphenyl]methanol
CID 59682691
4-[[2-[[2-[2-(hydroxymethyl)phenyl]sulfanylphenyl]methylamino]quinazolin-4-yl]amino]piperidine-1-sulfonamide
CID 58966869
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-N-cyclooctylquinazoline-2,4-diamine
CID 80786546
2-chloro-N-cycloheptylquinazolin-4-amine
CID 22692826
2-chloro-N-cyclododecylquinazolin-4-amine
CID 22692916
4-hydroxy-3-[[2-[[2-[2-(hydroxymethyl)phenyl]sulfanylphenyl]methylamino]quinazolin-4-yl]amino]-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene-1-sulfonic acid
CID 58966887
4-N-cyclohexyl-2-N-[(2-fluorophenyl)methyl]quinazoline-2,4-diamine
CID 134106271
[2-[4-(cyclohexylamino)quinazolin-2-yl]-3-pyridinyl]-phenylmethanone
CID 23652838
2-[4-[[(3S)-1-benzylpyrrolidin-3-yl]amino]quinazolin-2-yl]phenol
CID 135921332
2-[[4-(cyclopentylamino)quinazolin-2-yl]amino]phenol
CID 2229279

Frequently Asked Questions

What is the IUPAC name of [2-[2-[4-(cyclopentylamino)quinazolin-2-yl]phenyl]sulfanylphenyl]methanol?
The IUPAC name of [2-[2-[4-(cyclopentylamino)quinazolin-2-yl]phenyl]sulfanylphenyl]methanol (CID 59682609) is [2-[2-[4-(cyclopentylamino)quinazolin-2-yl]phenyl]sulfanylphenyl]methanol.
What is the SMILES notation for [2-[2-[4-(cyclopentylamino)quinazolin-2-yl]phenyl]sulfanylphenyl]methanol?
The canonical SMILES for [2-[2-[4-(cyclopentylamino)quinazolin-2-yl]phenyl]sulfanylphenyl]methanol is OCc1ccccc1Sc1ccccc1-c1nc(NC2CCCC2)c2ccccc2n1.
What is the InChIKey of [2-[2-[4-(cyclopentylamino)quinazolin-2-yl]phenyl]sulfanylphenyl]methanol?
The InChIKey is AARGZBMBLGDKEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H25N3OS/c30-17-18-9-1-7-15-23(18)31-24-16-8-5-13-21(24)26-28-22-14-6-4-12-20(22)25(29-26)27-19-10-2-3-11-19/h1,4-9,12-16,19,30H,2-3,10-11,17H2,(H,27,28,29).
What are the key properties of [2-[2-[4-(cyclopentylamino)quinazolin-2-yl]phenyl]sulfanylphenyl]methanol?
[2-[2-[4-(cyclopentylamino)quinazolin-2-yl]phenyl]sulfanylphenyl]methanol has a molecular weight of 427.57 g/mol, XLogP of 6.29, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[2-[4-(cyclopentylamino)quinazolin-2-yl]phenyl]sulfanylphenyl]methanol is sourced from PubChem (CID 59682609), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).