7-methoxy-N-methyl-N-[3-(trifluoromethyl)phenyl]furo[2,3-b]quinoline-2-carboxamide

C21H15F3N2O3 — CID 6622004

IUPAC7-methoxy-N-methyl-N-[3-(trifluoromethyl)phenyl]furo[2,3-b]quinoline-2-carboxamide
SMILESCOc1ccc2cc3cc(C(=O)N(C)c4cccc(C(F)(F)F)c4)oc3nc2c1
InChIInChI=1S/C21H15F3N2O3/c1-26(15-5-3-4-14(10-15)21(22,23)24)20(27)18-9-13-8-12-6-7-16(28-2)11-17(12)25-19(13)29-18/h3-11H,1-2H3
InChIKeyYVTWQICCDSCJNC-UHFFFAOYSA-N
MW400.36 g/mol
LogP5.28
Rot. Bonds3

About 7-methoxy-N-methyl-N-[3-(trifluoromethyl)phenyl]furo[2,3-b]quinoline-2-carboxamide

7-methoxy-N-methyl-N-[3-(trifluoromethyl)phenyl]furo[2,3-b]quinoline-2-carboxamide (PubChem CID 6622004) has the molecular formula C21H15F3N2O3 and a molecular weight of 400.36 g/mol. Its IUPAC name is 7-methoxy-N-methyl-N-[3-(trifluoromethyl)phenyl]furo[2,3-b]quinoline-2-carboxamide.

Molecular Properties

Compound Name7-methoxy-N-methyl-N-[3-(trifluoromethyl)phenyl]furo[2,3-b]quinoline-2-carboxamide
PubChem CID6622004
Molecular FormulaC21H15F3N2O3
Molecular Weight400.36 g/mol
Exact Mass400.10
IUPAC Name7-methoxy-N-methyl-N-[3-(trifluoromethyl)phenyl]furo[2,3-b]quinoline-2-carboxamide
SMILESCOc1ccc2cc3cc(C(=O)N(C)c4cccc(C(F)(F)F)c4)oc3nc2c1
InChIInChI=1S/C21H15F3N2O3/c1-26(15-5-3-4-14(10-15)21(22,23)24)20(27)18-9-13-8-12-6-7-16(28-2)11-17(12)25-19(13)29-18/h3-11H,1-2H3
InChIKeyYVTWQICCDSCJNC-UHFFFAOYSA-N
XLogP5.28
TPSA55.57 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500400.36
LogP ≤ 55.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

7-methoxy-N-[2-(3-methylphenyl)ethyl]furo[2,3-b]quinoline-2-carboxamide
CID 15996824
7-methoxy-N-[(4-methylphenyl)methyl]furo[2,3-b]quinoline-2-carboxamide
CID 4187863
N-ethyl-N-(4-methoxyphenyl)-7-methylfuro[2,3-b]quinoline-2-carboxamide
CID 3244655
4-methoxy-N-(3-methoxyphenyl)-N-methylbenzamide
CID 23508483
N-(2,5-dimethoxyphenyl)-7-methylfuro[2,3-b]quinoline-2-carboxamide
CID 15995839
3,5-dichloro-N-methyl-N-[3-(trifluoromethyl)phenyl]benzamide
CID 1475846
(7-methoxythieno[2,3-b]quinolin-2-yl)-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]methanone
CID 15990488
N-(4-methoxyphenyl)-N-[4-[4-(4-methoxy-N-[3-(trifluoromethyl)phenyl]anilino)phenyl]phenyl]-3-(trifluoromethyl)aniline
CID 15218997
2,2,2-trifluoro-N-(3-methoxyphenyl)-N-methylacetamide
CID 64593233
4-(4-methoxyphenoxy)-N-(3-methoxyphenyl)-N-methylbenzamide
CID 127038740
2-cyano-4,5-dimethoxy-N,3,6-trimethyl-N-[3-(trifluoromethyl)phenyl]benzamide
CID 87691894
5-bromo-N-methyl-N-[3-(trifluoromethyl)phenyl]-1H-pyrazole-4-carboxamide
CID 70483864

Frequently Asked Questions

What is the IUPAC name of 7-methoxy-N-methyl-N-[3-(trifluoromethyl)phenyl]furo[2,3-b]quinoline-2-carboxamide?
The IUPAC name of 7-methoxy-N-methyl-N-[3-(trifluoromethyl)phenyl]furo[2,3-b]quinoline-2-carboxamide (CID 6622004) is 7-methoxy-N-methyl-N-[3-(trifluoromethyl)phenyl]furo[2,3-b]quinoline-2-carboxamide.
What is the SMILES notation for 7-methoxy-N-methyl-N-[3-(trifluoromethyl)phenyl]furo[2,3-b]quinoline-2-carboxamide?
The canonical SMILES for 7-methoxy-N-methyl-N-[3-(trifluoromethyl)phenyl]furo[2,3-b]quinoline-2-carboxamide is COc1ccc2cc3cc(C(=O)N(C)c4cccc(C(F)(F)F)c4)oc3nc2c1.
What is the InChIKey of 7-methoxy-N-methyl-N-[3-(trifluoromethyl)phenyl]furo[2,3-b]quinoline-2-carboxamide?
The InChIKey is YVTWQICCDSCJNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H15F3N2O3/c1-26(15-5-3-4-14(10-15)21(22,23)24)20(27)18-9-13-8-12-6-7-16(28-2)11-17(12)25-19(13)29-18/h3-11H,1-2H3.
What are the key properties of 7-methoxy-N-methyl-N-[3-(trifluoromethyl)phenyl]furo[2,3-b]quinoline-2-carboxamide?
7-methoxy-N-methyl-N-[3-(trifluoromethyl)phenyl]furo[2,3-b]quinoline-2-carboxamide has a molecular weight of 400.36 g/mol, XLogP of 5.28, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-methoxy-N-methyl-N-[3-(trifluoromethyl)phenyl]furo[2,3-b]quinoline-2-carboxamide is sourced from PubChem (CID 6622004), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).