2-fluoro-4-[2-[4-(oxolan-2-ylmethylamino)quinazolin-2-yl]ethyl]phenol

C21H22FN3O2 — CID 123240505

IUPAC2-fluoro-4-[2-[4-(oxolan-2-ylmethylamino)quinazolin-2-yl]ethyl]phenol
SMILESOc1ccc(CCc2nc(NCC3CCCO3)c3ccccc3n2)cc1F
InChIInChI=1S/C21H22FN3O2/c22-17-12-14(7-9-19(17)26)8-10-20-24-18-6-2-1-5-16(18)21(25-20)23-13-15-4-3-11-27-15/h1-2,5-7,9,12,15,26H,3-4,8,10-11,13H2,(H,23,24,25)
InChIKeyPMYQINKIJMGVHQ-UHFFFAOYSA-N
MW367.42 g/mol
LogP3.85
Rot. Bonds6

About 2-fluoro-4-[2-[4-(oxolan-2-ylmethylamino)quinazolin-2-yl]ethyl]phenol

2-fluoro-4-[2-[4-(oxolan-2-ylmethylamino)quinazolin-2-yl]ethyl]phenol (PubChem CID 123240505) has the molecular formula C21H22FN3O2 and a molecular weight of 367.42 g/mol. Its IUPAC name is 2-fluoro-4-[2-[4-(oxolan-2-ylmethylamino)quinazolin-2-yl]ethyl]phenol.

Molecular Properties

Compound Name2-fluoro-4-[2-[4-(oxolan-2-ylmethylamino)quinazolin-2-yl]ethyl]phenol
PubChem CID123240505
Molecular FormulaC21H22FN3O2
Molecular Weight367.42 g/mol
Exact Mass367.17
IUPAC Name2-fluoro-4-[2-[4-(oxolan-2-ylmethylamino)quinazolin-2-yl]ethyl]phenol
SMILESOc1ccc(CCc2nc(NCC3CCCO3)c3ccccc3n2)cc1F
InChIInChI=1S/C21H22FN3O2/c22-17-12-14(7-9-19(17)26)8-10-20-24-18-6-2-1-5-16(18)21(25-20)23-13-15-4-3-11-27-15/h1-2,5-7,9,12,15,26H,3-4,8,10-11,13H2,(H,23,24,25)
InChIKeyPMYQINKIJMGVHQ-UHFFFAOYSA-N
XLogP3.85
TPSA67.27 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.42
LogP ≤ 53.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-(2-fluorophenyl)-N-(oxolan-2-ylmethyl)quinazolin-4-amine
CID 2928261
2-(4-chlorophenyl)-N-[[(2S)-oxolan-2-yl]methyl]quinazolin-4-amine
CID 715619
2-N-(2-fluorophenyl)-4-N-[[(2S)-oxolan-2-yl]methyl]quinazoline-2,4-diamine
CID 705353
N-[[(2S)-oxolan-2-yl]methyl]-2-pyridin-3-ylquinazolin-4-amine
CID 2546848
2-(4-methoxyphenyl)-N-[[(2R)-oxolan-2-yl]methyl]quinazolin-4-amine
CID 731357
N-(oxolan-2-ylmethyl)-2-piperidin-1-ylquinazolin-4-amine
CID 3156007
2-morpholin-4-yl-N-(oxolan-2-ylmethyl)quinazolin-4-amine chloride
CID 53351083
2-[[4-[bis(4-chlorophenyl)methyl]piperazin-1-yl]methyl]-N-(oxolan-2-ylmethyl)quinazolin-4-amine
CID 58809678
2-(3-nitrophenyl)-N-[[(2R)-oxolan-2-yl]methyl]quinazolin-4-amine
CID 1318726
2-N-(4-chloro-2-methylphenyl)-4-N-(oxolan-2-ylmethyl)quinazoline-2,4-diamine
CID 56729091
8-fluoro-N-(oxolan-2-ylmethyl)-2-(trifluoromethyl)quinazolin-4-amine
CID 110431777
N-[2-(3,4-dimethoxyphenyl)ethyl]-2-[4-(oxolan-2-ylmethylamino)quinazolin-2-yl]sulfanylacetamide
CID 6616460

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-4-[2-[4-(oxolan-2-ylmethylamino)quinazolin-2-yl]ethyl]phenol?
The IUPAC name of 2-fluoro-4-[2-[4-(oxolan-2-ylmethylamino)quinazolin-2-yl]ethyl]phenol (CID 123240505) is 2-fluoro-4-[2-[4-(oxolan-2-ylmethylamino)quinazolin-2-yl]ethyl]phenol.
What is the SMILES notation for 2-fluoro-4-[2-[4-(oxolan-2-ylmethylamino)quinazolin-2-yl]ethyl]phenol?
The canonical SMILES for 2-fluoro-4-[2-[4-(oxolan-2-ylmethylamino)quinazolin-2-yl]ethyl]phenol is Oc1ccc(CCc2nc(NCC3CCCO3)c3ccccc3n2)cc1F.
What is the InChIKey of 2-fluoro-4-[2-[4-(oxolan-2-ylmethylamino)quinazolin-2-yl]ethyl]phenol?
The InChIKey is PMYQINKIJMGVHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22FN3O2/c22-17-12-14(7-9-19(17)26)8-10-20-24-18-6-2-1-5-16(18)21(25-20)23-13-15-4-3-11-27-15/h1-2,5-7,9,12,15,26H,3-4,8,10-11,13H2,(H,23,24,25).
What are the key properties of 2-fluoro-4-[2-[4-(oxolan-2-ylmethylamino)quinazolin-2-yl]ethyl]phenol?
2-fluoro-4-[2-[4-(oxolan-2-ylmethylamino)quinazolin-2-yl]ethyl]phenol has a molecular weight of 367.42 g/mol, XLogP of 3.85, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-4-[2-[4-(oxolan-2-ylmethylamino)quinazolin-2-yl]ethyl]phenol is sourced from PubChem (CID 123240505), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).