1-[3-(2-methylquinazolin-4-yl)oxypropyl]-4-(trifluoromethyl)piperidin-4-ol

C18H22F3N3O2 — CID 162349517

IUPAC1-[3-(2-methylquinazolin-4-yl)oxypropyl]-4-(trifluoromethyl)piperidin-4-ol
SMILESCc1nc(OCCCN2CCC(O)(C(F)(F)F)CC2)c2ccccc2n1
InChIInChI=1S/C18H22F3N3O2/c1-13-22-15-6-3-2-5-14(15)16(23-13)26-12-4-9-24-10-7-17(25,8-11-24)18(19,20)21/h2-3,5-6,25H,4,7-12H2,1H3
InChIKeyGZQKXJCLPDCFGO-UHFFFAOYSA-N
MW369.39 g/mol
LogP3.10
Rot. Bonds5

About 1-[3-(2-methylquinazolin-4-yl)oxypropyl]-4-(trifluoromethyl)piperidin-4-ol

1-[3-(2-methylquinazolin-4-yl)oxypropyl]-4-(trifluoromethyl)piperidin-4-ol (PubChem CID 162349517) has the molecular formula C18H22F3N3O2 and a molecular weight of 369.39 g/mol. Its IUPAC name is 1-[3-(2-methylquinazolin-4-yl)oxypropyl]-4-(trifluoromethyl)piperidin-4-ol.

Molecular Properties

Compound Name1-[3-(2-methylquinazolin-4-yl)oxypropyl]-4-(trifluoromethyl)piperidin-4-ol
PubChem CID162349517
Molecular FormulaC18H22F3N3O2
Molecular Weight369.39 g/mol
Exact Mass369.17
IUPAC Name1-[3-(2-methylquinazolin-4-yl)oxypropyl]-4-(trifluoromethyl)piperidin-4-ol
SMILESCc1nc(OCCCN2CCC(O)(C(F)(F)F)CC2)c2ccccc2n1
InChIInChI=1S/C18H22F3N3O2/c1-13-22-15-6-3-2-5-14(15)16(23-13)26-12-4-9-24-10-7-17(25,8-11-24)18(19,20)21/h2-3,5-6,25H,4,7-12H2,1H3
InChIKeyGZQKXJCLPDCFGO-UHFFFAOYSA-N
XLogP3.10
TPSA58.48 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.39
LogP ≤ 53.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 1-[3-(2-methylquinazolin-4-yl)oxypropyl]-4-(trifluoromethyl)piperidin-4-ol with MolForge

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Related Compounds

Enecadin
CID 6433114
5-{[1-(2-Fluorobenzyl)piperidin-4-yl]methoxy}quinazoline-2,4-diamine
CID 23729147
4-(4-Fluorophenyl)-2-methyl-6-(5-piperidinopentyloxy)pyrimidine hydrochloride
CID 9800750
2-({6-[4-(Trifluoromethyl)phenyl]pyrimidin-4-yl}oxy)quinoline
CID 10406635
4-(2-(4-(4-[18F]Fluoro-butyl)-phenyl)ethoxy) quinazoline
CID 11151464
5-[[1-(2,2,2-Trifluoroethyl)piperidin-4-yl]methoxy]quinazoline-2,4-diamine
CID 44242593
1-(4-(2-Fluorophenyl)piperazin-1-yl)-3-(quinazolin-4-yloxy)propan-2-ol (3d)
CID 118796624
1-(4-(3-(Trifluoromethyl)phenyl)piperazin-1-yl)-3-(quinazolin-4-yloxy)propan-2-ol (3j)
CID 118796630
(2-Fluoromethyl-quinazolin-4-yl)-(4-methoxy-phenyl)-methyl-amine
CID 11208709
5-[(1-Benzylpiperidin-4-yl)methoxy]quinazoline-2,4-diamine
CID 57576574
4-(4-Methoxyphenoxy)-2-(pyridin-3-yl)quinazoline
CID 719310
4-Phenoxy-2-pyridin-3-ylquinazoline
CID 872375

Frequently Asked Questions

What is the IUPAC name of 1-[3-(2-methylquinazolin-4-yl)oxypropyl]-4-(trifluoromethyl)piperidin-4-ol?
The IUPAC name of 1-[3-(2-methylquinazolin-4-yl)oxypropyl]-4-(trifluoromethyl)piperidin-4-ol (CID 162349517) is 1-[3-(2-methylquinazolin-4-yl)oxypropyl]-4-(trifluoromethyl)piperidin-4-ol.
What is the SMILES notation for 1-[3-(2-methylquinazolin-4-yl)oxypropyl]-4-(trifluoromethyl)piperidin-4-ol?
The canonical SMILES for 1-[3-(2-methylquinazolin-4-yl)oxypropyl]-4-(trifluoromethyl)piperidin-4-ol is Cc1nc(OCCCN2CCC(O)(C(F)(F)F)CC2)c2ccccc2n1.
What is the InChIKey of 1-[3-(2-methylquinazolin-4-yl)oxypropyl]-4-(trifluoromethyl)piperidin-4-ol?
The InChIKey is GZQKXJCLPDCFGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22F3N3O2/c1-13-22-15-6-3-2-5-14(15)16(23-13)26-12-4-9-24-10-7-17(25,8-11-24)18(19,20)21/h2-3,5-6,25H,4,7-12H2,1H3.
What are the key properties of 1-[3-(2-methylquinazolin-4-yl)oxypropyl]-4-(trifluoromethyl)piperidin-4-ol?
1-[3-(2-methylquinazolin-4-yl)oxypropyl]-4-(trifluoromethyl)piperidin-4-ol has a molecular weight of 369.39 g/mol, XLogP of 3.10, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(2-methylquinazolin-4-yl)oxypropyl]-4-(trifluoromethyl)piperidin-4-ol is sourced from PubChem (CID 162349517), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).