[4-[2-[[7-(cyclohexylmethoxy)quinazolin-4-yl]amino]ethyl]phenyl]methanol

C24H29N3O2 — CID 122469644

IUPAC[4-[2-[[7-(cyclohexylmethoxy)quinazolin-4-yl]amino]ethyl]phenyl]methanol
SMILESOCc1ccc(CCNc2ncnc3cc(OCC4CCCCC4)ccc23)cc1
InChIInChI=1S/C24H29N3O2/c28-15-19-8-6-18(7-9-19)12-13-25-24-22-11-10-21(14-23(22)26-17-27-24)29-16-20-4-2-1-3-5-20/h6-11,14,17,20,28H,1-5,12-13,15-16H2,(H,25,26,27)
InChIKeyFWSQDZZHKWKBNU-UHFFFAOYSA-N
MW391.52 g/mol
LogP4.74
Rot. Bonds8

About [4-[2-[[7-(cyclohexylmethoxy)quinazolin-4-yl]amino]ethyl]phenyl]methanol

[4-[2-[[7-(cyclohexylmethoxy)quinazolin-4-yl]amino]ethyl]phenyl]methanol (PubChem CID 122469644) has the molecular formula C24H29N3O2 and a molecular weight of 391.52 g/mol. Its IUPAC name is [4-[2-[[7-(cyclohexylmethoxy)quinazolin-4-yl]amino]ethyl]phenyl]methanol.

Molecular Properties

Compound Name[4-[2-[[7-(cyclohexylmethoxy)quinazolin-4-yl]amino]ethyl]phenyl]methanol
PubChem CID122469644
Molecular FormulaC24H29N3O2
Molecular Weight391.52 g/mol
Exact Mass391.23
IUPAC Name[4-[2-[[7-(cyclohexylmethoxy)quinazolin-4-yl]amino]ethyl]phenyl]methanol
SMILESOCc1ccc(CCNc2ncnc3cc(OCC4CCCCC4)ccc23)cc1
InChIInChI=1S/C24H29N3O2/c28-15-19-8-6-18(7-9-19)12-13-25-24-22-11-10-21(14-23(22)26-17-27-24)29-16-20-4-2-1-3-5-20/h6-11,14,17,20,28H,1-5,12-13,15-16H2,(H,25,26,27)
InChIKeyFWSQDZZHKWKBNU-UHFFFAOYSA-N
XLogP4.74
TPSA67.27 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.52
LogP ≤ 54.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze [4-[2-[[7-(cyclohexylmethoxy)quinazolin-4-yl]amino]ethyl]phenyl]methanol with MolForge

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Related Compounds

N-[2-(4-methylphenyl)ethyl]-7-[[1-[2-(quinolin-4-ylamino)ethyl]piperidin-4-yl]methoxy]quinazolin-4-amine
CID 122470372
2-[4-(cyclohexylmethoxy)phenyl]ethanol
CID 113369507
[1-[3-[4-[2-[4-(phenylcarbamoylamino)phenyl]ethylamino]quinazolin-7-yl]oxypropyl]piperidin-4-yl]methyl dihydrogen phosphate
CID 59268791
1-[4-[2-[[7-[2-(dimethylamino)ethoxy]quinazolin-4-yl]amino]ethyl]phenyl]-3-phenylurea
CID 59268658
[4-[2-[(7-aminopyrido[2,3-d]pyrimidin-4-yl)amino]ethyl]phenyl]methanol
CID 133434894
4-[2-(quinazolin-4-ylamino)ethyl]phenol
CID 24742057
tert-butyl 4-[[4-[2-(quinolin-4-ylamino)ethylamino]quinazolin-7-yl]oxymethyl]piperidine-1-carboxylate
CID 122470420
2-[2-[(7-methoxyquinazolin-4-yl)amino]ethoxy]ethanol
CID 21003121
6-chloro-N-[2-(4-ethoxyphenyl)ethyl]quinazolin-4-amine
CID 23631998
N-(3,4-difluorophenyl)-2-[4-[[7-[(1-methylpiperidin-4-yl)methoxy]quinazolin-4-yl]amino]phenyl]acetamide
CID 57401362
4-N-[2-(4-pyridin-4-yloxyphenyl)ethyl]quinazoline-4,6-diamine
CID 139981848
4-(3-phenylpropylamino)quinazolin-7-ol
CID 137026727

Frequently Asked Questions

What is the IUPAC name of [4-[2-[[7-(cyclohexylmethoxy)quinazolin-4-yl]amino]ethyl]phenyl]methanol?
The IUPAC name of [4-[2-[[7-(cyclohexylmethoxy)quinazolin-4-yl]amino]ethyl]phenyl]methanol (CID 122469644) is [4-[2-[[7-(cyclohexylmethoxy)quinazolin-4-yl]amino]ethyl]phenyl]methanol.
What is the SMILES notation for [4-[2-[[7-(cyclohexylmethoxy)quinazolin-4-yl]amino]ethyl]phenyl]methanol?
The canonical SMILES for [4-[2-[[7-(cyclohexylmethoxy)quinazolin-4-yl]amino]ethyl]phenyl]methanol is OCc1ccc(CCNc2ncnc3cc(OCC4CCCCC4)ccc23)cc1.
What is the InChIKey of [4-[2-[[7-(cyclohexylmethoxy)quinazolin-4-yl]amino]ethyl]phenyl]methanol?
The InChIKey is FWSQDZZHKWKBNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H29N3O2/c28-15-19-8-6-18(7-9-19)12-13-25-24-22-11-10-21(14-23(22)26-17-27-24)29-16-20-4-2-1-3-5-20/h6-11,14,17,20,28H,1-5,12-13,15-16H2,(H,25,26,27).
What are the key properties of [4-[2-[[7-(cyclohexylmethoxy)quinazolin-4-yl]amino]ethyl]phenyl]methanol?
[4-[2-[[7-(cyclohexylmethoxy)quinazolin-4-yl]amino]ethyl]phenyl]methanol has a molecular weight of 391.52 g/mol, XLogP of 4.74, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[2-[[7-(cyclohexylmethoxy)quinazolin-4-yl]amino]ethyl]phenyl]methanol is sourced from PubChem (CID 122469644), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).