2-[ethyl-[7-methoxy-2-(trifluoromethyl)quinazolin-4-yl]amino]ethanol

C14H16F3N3O2 — CID 110433325

IUPAC2-[ethyl-[7-methoxy-2-(trifluoromethyl)quinazolin-4-yl]amino]ethanol
SMILESCCN(CCO)c1nc(C(F)(F)F)nc2cc(OC)ccc12
InChIInChI=1S/C14H16F3N3O2/c1-3-20(6-7-21)12-10-5-4-9(22-2)8-11(10)18-13(19-12)14(15,16)17/h4-5,8,21H,3,6-7H2,1-2H3
InChIKeyPMQHAKOXLAOCAY-UHFFFAOYSA-N
MW315.30 g/mol
LogP2.48
Rot. Bonds5

About 2-[ethyl-[7-methoxy-2-(trifluoromethyl)quinazolin-4-yl]amino]ethanol

2-[ethyl-[7-methoxy-2-(trifluoromethyl)quinazolin-4-yl]amino]ethanol (PubChem CID 110433325) has the molecular formula C14H16F3N3O2 and a molecular weight of 315.30 g/mol. Its IUPAC name is 2-[ethyl-[7-methoxy-2-(trifluoromethyl)quinazolin-4-yl]amino]ethanol.

Molecular Properties

Compound Name2-[ethyl-[7-methoxy-2-(trifluoromethyl)quinazolin-4-yl]amino]ethanol
PubChem CID110433325
Molecular FormulaC14H16F3N3O2
Molecular Weight315.30 g/mol
Exact Mass315.12
IUPAC Name2-[ethyl-[7-methoxy-2-(trifluoromethyl)quinazolin-4-yl]amino]ethanol
SMILESCCN(CCO)c1nc(C(F)(F)F)nc2cc(OC)ccc12
InChIInChI=1S/C14H16F3N3O2/c1-3-20(6-7-21)12-10-5-4-9(22-2)8-11(10)18-13(19-12)14(15,16)17/h4-5,8,21H,3,6-7H2,1-2H3
InChIKeyPMQHAKOXLAOCAY-UHFFFAOYSA-N
XLogP2.48
TPSA58.48 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.30
LogP ≤ 52.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-[[7-methoxy-2-(trifluoromethyl)quinazolin-4-yl]amino]-2-methylpropan-1-ol
CID 110433067
2-[7-methoxy-2-(trifluoromethyl)quinazolin-4-yl]sulfanylacetic acid
CID 21003786
N-butyl-7-methoxy-2-(trifluoromethyl)quinazolin-4-amine
CID 110431380
N-[(3R)-1,1-dioxothiolan-3-yl]-7-methoxy-N-methyl-2-(trifluoromethyl)quinazolin-4-amine
CID 7749314
7-methoxy-4-(4-methylpiperazin-4-ium-1-yl)-2-(trifluoromethyl)quinazoline
CID 7749311
N,N-diethyl-7-methoxy-2-methylquinolin-4-amine
CID 71151890
7-methoxy-N-[(4-methylphenyl)methyl]-2-(trifluoromethyl)quinazolin-4-amine
CID 110431386
6-[[7-methoxy-2-(trifluoromethyl)quinazolin-4-yl]amino]hexanoic acid
CID 21003748
7-methoxy-N-(2-phenylethyl)-2-(trifluoromethyl)quinazolin-4-amine
CID 21003694
2-[[8-fluoro-2-(trifluoromethyl)quinazolin-4-yl]-(2-hydroxyethyl)amino]ethanol
CID 110433572
2-[[7-methoxy-2-(trifluoromethyl)quinazolin-4-yl]amino]-3-methylbutanoic acid
CID 21003732
N-butyl-N-ethyl-7-methoxy-2-methylquinolin-4-amine
CID 110434237

Frequently Asked Questions

What is the IUPAC name of 2-[ethyl-[7-methoxy-2-(trifluoromethyl)quinazolin-4-yl]amino]ethanol?
The IUPAC name of 2-[ethyl-[7-methoxy-2-(trifluoromethyl)quinazolin-4-yl]amino]ethanol (CID 110433325) is 2-[ethyl-[7-methoxy-2-(trifluoromethyl)quinazolin-4-yl]amino]ethanol.
What is the SMILES notation for 2-[ethyl-[7-methoxy-2-(trifluoromethyl)quinazolin-4-yl]amino]ethanol?
The canonical SMILES for 2-[ethyl-[7-methoxy-2-(trifluoromethyl)quinazolin-4-yl]amino]ethanol is CCN(CCO)c1nc(C(F)(F)F)nc2cc(OC)ccc12.
What is the InChIKey of 2-[ethyl-[7-methoxy-2-(trifluoromethyl)quinazolin-4-yl]amino]ethanol?
The InChIKey is PMQHAKOXLAOCAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16F3N3O2/c1-3-20(6-7-21)12-10-5-4-9(22-2)8-11(10)18-13(19-12)14(15,16)17/h4-5,8,21H,3,6-7H2,1-2H3.
What are the key properties of 2-[ethyl-[7-methoxy-2-(trifluoromethyl)quinazolin-4-yl]amino]ethanol?
2-[ethyl-[7-methoxy-2-(trifluoromethyl)quinazolin-4-yl]amino]ethanol has a molecular weight of 315.30 g/mol, XLogP of 2.48, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[ethyl-[7-methoxy-2-(trifluoromethyl)quinazolin-4-yl]amino]ethanol is sourced from PubChem (CID 110433325), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).