2-[7-methoxy-2-methyl-4-[[(1R)-1-[6-(trifluoromethyl)-2-pyridinyl]ethyl]amino]quinazolin-6-yl]oxycyclopentan-1-ol

C23H25F3N4O3 — CID 167194246

IUPAC2-[7-methoxy-2-methyl-4-[[(1R)-1-[6-(trifluoromethyl)-2-pyridinyl]ethyl]amino]quinazolin-6-yl]oxycyclopentan-1-ol
SMILESCOc1cc2nc(C)nc(N[C@H](C)c3cccc(C(F)(F)F)n3)c2cc1OC1CCCC1O
InChIInChI=1S/C23H25F3N4O3/c1-12(15-6-4-9-21(30-15)23(24,25)26)27-22-14-10-20(33-18-8-5-7-17(18)31)19(32-3)11-16(14)28-13(2)29-22/h4,6,9-12,17-18,31H,5,7-8H2,1-3H3,(H,27,28,29)/t12-,17?,18?/m1/s1
InChIKeyRKXSMWYPTVJUTE-RGZNSWCXSA-N
MW462.47 g/mol
LogP4.83
Rot. Bonds6

About 2-[7-methoxy-2-methyl-4-[[(1R)-1-[6-(trifluoromethyl)-2-pyridinyl]ethyl]amino]quinazolin-6-yl]oxycyclopentan-1-ol

2-[7-methoxy-2-methyl-4-[[(1R)-1-[6-(trifluoromethyl)-2-pyridinyl]ethyl]amino]quinazolin-6-yl]oxycyclopentan-1-ol (PubChem CID 167194246) has the molecular formula C23H25F3N4O3 and a molecular weight of 462.47 g/mol. Its IUPAC name is 2-[7-methoxy-2-methyl-4-[[(1R)-1-[6-(trifluoromethyl)-2-pyridinyl]ethyl]amino]quinazolin-6-yl]oxycyclopentan-1-ol.

Molecular Properties

Compound Name2-[7-methoxy-2-methyl-4-[[(1R)-1-[6-(trifluoromethyl)-2-pyridinyl]ethyl]amino]quinazolin-6-yl]oxycyclopentan-1-ol
PubChem CID167194246
Molecular FormulaC23H25F3N4O3
Molecular Weight462.47 g/mol
Exact Mass462.19
IUPAC Name2-[7-methoxy-2-methyl-4-[[(1R)-1-[6-(trifluoromethyl)-2-pyridinyl]ethyl]amino]quinazolin-6-yl]oxycyclopentan-1-ol
SMILESCOc1cc2nc(C)nc(N[C@H](C)c3cccc(C(F)(F)F)n3)c2cc1OC1CCCC1O
InChIInChI=1S/C23H25F3N4O3/c1-12(15-6-4-9-21(30-15)23(24,25)26)27-22-14-10-20(33-18-8-5-7-17(18)31)19(32-3)11-16(14)28-13(2)29-22/h4,6,9-12,17-18,31H,5,7-8H2,1-3H3,(H,27,28,29)/t12-,17?,18?/m1/s1
InChIKeyRKXSMWYPTVJUTE-RGZNSWCXSA-N
XLogP4.83
TPSA89.39 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500462.47
LogP ≤ 54.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze 2-[7-methoxy-2-methyl-4-[[(1R)-1-[6-(trifluoromethyl)-2-pyridinyl]ethyl]amino]quinazolin-6-yl]oxycyclopentan-1-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[(1R)-1-[6-amino-2-(trifluoromethyl)pyrimidin-4-yl]ethyl]-7-methoxy-6-(2-methoxycyclobutyl)oxy-2-methylquinazolin-4-amine
CID 167194247
6,7-dimethoxy-2-methyl-N-propan-2-ylquinazolin-4-amine
CID 177115997
N-[(1R)-1-[6-amino-2-(trifluoromethyl)pyrimidin-4-yl]ethyl]-7-methoxy-2-methyl-6-pyrrolidin-3-yloxyquinazolin-4-amine
CID 167194131
7-methoxy-2-methyl-6-[1-[(2R)-oxolan-2-yl]ethoxy]-N-[(1R)-1-[3-(trifluoromethyl)phenyl]ethyl]quinazolin-4-amine
CID 170146475
N-[(1R)-1-[3-(2-cyclopropylethynyl)phenyl]ethyl]-6,7-dimethoxy-2-methylquinazolin-4-amine
CID 171051525
7-methoxy-2-methyl-6-[1-[(3S)-oxolan-3-yl]ethoxy]-N-[(1R)-1-[3-(trifluoromethyl)phenyl]ethyl]quinazolin-4-amine
CID 170146450
7-methoxy-6-(1-methoxy-3-methylbutan-2-yl)oxy-2-methyl-N-[[6-(trifluoromethyl)-2-pyridinyl]methyl]quinazolin-4-amine
CID 170146834
N-[1-(4-bromophenyl)ethyl]-6,7-dimethoxy-2-methylquinazolin-4-amine
CID 135336419
7-methoxy-6-(1-methoxybutan-2-yloxy)-2-methyl-N-[(1R)-1-[2-(trifluoromethyl)-4-pyridinyl]ethyl]quinazolin-4-amine
CID 170146823
trans-(1S,4R)-3-hydroxy-4-[7-methoxy-2-methyl-4-[[(1R)-1-[3-(trifluoromethyl)phenyl]ethyl]amino]quinazolin-6-yl]cyclohexane-1-carboxylic acid
CID 135176566
N-[(1R)-1-[5-amino-2-methyl-3-(trifluoromethyl)phenyl]ethyl]-7-methoxy-2-methyl-6-[(3S)-oxolan-3-yl]oxyquinazolin-4-amine
CID 155520201
6-[[3,3-difluoro-1-(methoxymethyl)cyclobutyl]methoxy]-7-methoxy-2-methyl-N-[(1R)-1-[4-(trifluoromethyl)-2-pyridinyl]ethyl]quinazolin-4-amine
CID 170146007

Frequently Asked Questions

What is the IUPAC name of 2-[7-methoxy-2-methyl-4-[[(1R)-1-[6-(trifluoromethyl)-2-pyridinyl]ethyl]amino]quinazolin-6-yl]oxycyclopentan-1-ol?
The IUPAC name of 2-[7-methoxy-2-methyl-4-[[(1R)-1-[6-(trifluoromethyl)-2-pyridinyl]ethyl]amino]quinazolin-6-yl]oxycyclopentan-1-ol (CID 167194246) is 2-[7-methoxy-2-methyl-4-[[(1R)-1-[6-(trifluoromethyl)-2-pyridinyl]ethyl]amino]quinazolin-6-yl]oxycyclopentan-1-ol.
What is the SMILES notation for 2-[7-methoxy-2-methyl-4-[[(1R)-1-[6-(trifluoromethyl)-2-pyridinyl]ethyl]amino]quinazolin-6-yl]oxycyclopentan-1-ol?
The canonical SMILES for 2-[7-methoxy-2-methyl-4-[[(1R)-1-[6-(trifluoromethyl)-2-pyridinyl]ethyl]amino]quinazolin-6-yl]oxycyclopentan-1-ol is COc1cc2nc(C)nc(N[C@H](C)c3cccc(C(F)(F)F)n3)c2cc1OC1CCCC1O.
What is the InChIKey of 2-[7-methoxy-2-methyl-4-[[(1R)-1-[6-(trifluoromethyl)-2-pyridinyl]ethyl]amino]quinazolin-6-yl]oxycyclopentan-1-ol?
The InChIKey is RKXSMWYPTVJUTE-RGZNSWCXSA-N. The full InChI is InChI=1S/C23H25F3N4O3/c1-12(15-6-4-9-21(30-15)23(24,25)26)27-22-14-10-20(33-18-8-5-7-17(18)31)19(32-3)11-16(14)28-13(2)29-22/h4,6,9-12,17-18,31H,5,7-8H2,1-3H3,(H,27,28,29)/t12-,17?,18?/m1/s1.
What are the key properties of 2-[7-methoxy-2-methyl-4-[[(1R)-1-[6-(trifluoromethyl)-2-pyridinyl]ethyl]amino]quinazolin-6-yl]oxycyclopentan-1-ol?
2-[7-methoxy-2-methyl-4-[[(1R)-1-[6-(trifluoromethyl)-2-pyridinyl]ethyl]amino]quinazolin-6-yl]oxycyclopentan-1-ol has a molecular weight of 462.47 g/mol, XLogP of 4.83, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[7-methoxy-2-methyl-4-[[(1R)-1-[6-(trifluoromethyl)-2-pyridinyl]ethyl]amino]quinazolin-6-yl]oxycyclopentan-1-ol is sourced from PubChem (CID 167194246), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).