(3,4-dimethylphenyl)-[4-methylidene-6-(trifluoromethyl)quinolin-3-ylidene]methanol

C20H16F3NO — CID 163887004

IUPAC(3,4-dimethylphenyl)-[4-methylidene-6-(trifluoromethyl)quinolin-3-ylidene]methanol
SMILESC=c1c(=C(O)c2ccc(C)c(C)c2)cnc2ccc(C(F)(F)F)cc12
InChIInChI=1S/C20H16F3NO/c1-11-4-5-14(8-12(11)2)19(25)17-10-24-18-7-6-15(20(21,22)23)9-16(18)13(17)3/h4-10,25H,3H2,1-2H3
InChIKeyMXQYRBYECULQGX-UHFFFAOYSA-N
MW343.35 g/mol
LogP4.00
Rot. Bonds1

About (3,4-dimethylphenyl)-[4-methylidene-6-(trifluoromethyl)quinolin-3-ylidene]methanol

(3,4-dimethylphenyl)-[4-methylidene-6-(trifluoromethyl)quinolin-3-ylidene]methanol (PubChem CID 163887004) has the molecular formula C20H16F3NO and a molecular weight of 343.35 g/mol. Its IUPAC name is (3,4-dimethylphenyl)-[4-methylidene-6-(trifluoromethyl)quinolin-3-ylidene]methanol.

Molecular Properties

Compound Name(3,4-dimethylphenyl)-[4-methylidene-6-(trifluoromethyl)quinolin-3-ylidene]methanol
PubChem CID163887004
Molecular FormulaC20H16F3NO
Molecular Weight343.35 g/mol
Exact Mass343.12
IUPAC Name(3,4-dimethylphenyl)-[4-methylidene-6-(trifluoromethyl)quinolin-3-ylidene]methanol
SMILESC=c1c(=C(O)c2ccc(C)c(C)c2)cnc2ccc(C(F)(F)F)cc12
InChIInChI=1S/C20H16F3NO/c1-11-4-5-14(8-12(11)2)19(25)17-10-24-18-7-6-15(20(21,22)23)9-16(18)13(17)3/h4-10,25H,3H2,1-2H3
InChIKeyMXQYRBYECULQGX-UHFFFAOYSA-N
XLogP4.00
TPSA33.12 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.35
LogP ≤ 54.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1,1,1-Trifluoro-2-[4-[4-isocyano-3-(trifluoromethyl)phenyl]phenyl]propan-2-ol
CID 20824679
N-butyl-5-fluoro-2-[4-isocyano-3-(trifluoromethyl)phenyl]benzenecarboximidate
CID 20824785
1-phenyl-1-[4-phenyl-3-(trifluoromethyl)-4H-quinolin-3-yl]ethanol
CID 66913448
[6-[1-(4-Fluoro-2-methylphenyl)pent-1-enyl]-2-methyl-3,4-dihydroquinolin-7-yl]methanol
CID 123525898
1-[2-Ethyl-5-methyl-4-(2-methylhexylideneamino)phenyl]-2,2,2-trifluoro-1-(3-fluorophenyl)ethanol
CID 129274700
2-[2-Ethyl-5-methyl-4-(methylideneamino)phenyl]-1,1,1-trifluorohexan-2-ol
CID 129274734
2,2,2-Trifluoro-1-[4-[(4-fluorophenyl)methylideneamino]-3-methylphenyl]ethanol
CID 130385841
Oxovanadium;2-(phenyliminomethyl)-3,5-bis(trifluoromethyl)phenol
CID 135967294
2-Tert-butyl-6-[[4-(trifluoromethyl)phenyl]iminomethyl]phenol;dichlorotitanium
CID 136003924
2-tert-Butyl-6-[4-(trifluoromethyl)phenyliminomethyl]phenol
CID 136003925
2-Tert-butyl-6-[[4-(trifluoromethyl)phenyl]iminomethyl]phenol;dichlorozirconium
CID 136003954
methyl (Z)-2-[(4-fluoro-2-methylphenyl)iminomethyl]-3-(3-fluoro-2,4,5,6-tetramethylphenyl)-3-hydroxyprop-2-enoate
CID 136020306

Frequently Asked Questions

What is the IUPAC name of (3,4-dimethylphenyl)-[4-methylidene-6-(trifluoromethyl)quinolin-3-ylidene]methanol?
The IUPAC name of (3,4-dimethylphenyl)-[4-methylidene-6-(trifluoromethyl)quinolin-3-ylidene]methanol (CID 163887004) is (3,4-dimethylphenyl)-[4-methylidene-6-(trifluoromethyl)quinolin-3-ylidene]methanol.
What is the SMILES notation for (3,4-dimethylphenyl)-[4-methylidene-6-(trifluoromethyl)quinolin-3-ylidene]methanol?
The canonical SMILES for (3,4-dimethylphenyl)-[4-methylidene-6-(trifluoromethyl)quinolin-3-ylidene]methanol is C=c1c(=C(O)c2ccc(C)c(C)c2)cnc2ccc(C(F)(F)F)cc12.
What is the InChIKey of (3,4-dimethylphenyl)-[4-methylidene-6-(trifluoromethyl)quinolin-3-ylidene]methanol?
The InChIKey is MXQYRBYECULQGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16F3NO/c1-11-4-5-14(8-12(11)2)19(25)17-10-24-18-7-6-15(20(21,22)23)9-16(18)13(17)3/h4-10,25H,3H2,1-2H3.
What are the key properties of (3,4-dimethylphenyl)-[4-methylidene-6-(trifluoromethyl)quinolin-3-ylidene]methanol?
(3,4-dimethylphenyl)-[4-methylidene-6-(trifluoromethyl)quinolin-3-ylidene]methanol has a molecular weight of 343.35 g/mol, XLogP of 4.00, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3,4-dimethylphenyl)-[4-methylidene-6-(trifluoromethyl)quinolin-3-ylidene]methanol is sourced from PubChem (CID 163887004), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).