N-[[2-fluoro-4-methyl-3-[2-(3-methylphenyl)ethyl]phenyl]methyl]quinoline-6-carboxamide

C27H25FN2O — CID 143959873

IUPACN-[[2-fluoro-4-methyl-3-[2-(3-methylphenyl)ethyl]phenyl]methyl]quinoline-6-carboxamide
SMILESCc1cccc(CCc2c(C)ccc(CNC(=O)c3ccc4ncccc4c3)c2F)c1
InChIInChI=1S/C27H25FN2O/c1-18-5-3-6-20(15-18)9-12-24-19(2)8-10-23(26(24)28)17-30-27(31)22-11-13-25-21(16-22)7-4-14-29-25/h3-8,10-11,13-16H,9,12,17H2,1-2H3,(H,30,31)
InChIKeyKKUNRXYWUIAELW-UHFFFAOYSA-N
MW412.51 g/mol
LogP5.71
Rot. Bonds6

About N-[[2-fluoro-4-methyl-3-[2-(3-methylphenyl)ethyl]phenyl]methyl]quinoline-6-carboxamide

N-[[2-fluoro-4-methyl-3-[2-(3-methylphenyl)ethyl]phenyl]methyl]quinoline-6-carboxamide (PubChem CID 143959873) has the molecular formula C27H25FN2O and a molecular weight of 412.51 g/mol. Its IUPAC name is N-[[2-fluoro-4-methyl-3-[2-(3-methylphenyl)ethyl]phenyl]methyl]quinoline-6-carboxamide.

Molecular Properties

Compound NameN-[[2-fluoro-4-methyl-3-[2-(3-methylphenyl)ethyl]phenyl]methyl]quinoline-6-carboxamide
PubChem CID143959873
Molecular FormulaC27H25FN2O
Molecular Weight412.51 g/mol
Exact Mass412.20
IUPAC NameN-[[2-fluoro-4-methyl-3-[2-(3-methylphenyl)ethyl]phenyl]methyl]quinoline-6-carboxamide
SMILESCc1cccc(CCc2c(C)ccc(CNC(=O)c3ccc4ncccc4c3)c2F)c1
InChIInChI=1S/C27H25FN2O/c1-18-5-3-6-20(15-18)9-12-24-19(2)8-10-23(26(24)28)17-30-27(31)22-11-13-25-21(16-22)7-4-14-29-25/h3-8,10-11,13-16H,9,12,17H2,1-2H3,(H,30,31)
InChIKeyKKUNRXYWUIAELW-UHFFFAOYSA-N
XLogP5.71
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500412.51
LogP ≤ 55.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze N-[[2-fluoro-4-methyl-3-[2-(3-methylphenyl)ethyl]phenyl]methyl]quinoline-6-carboxamide with MolForge

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Related Compounds

N-[(2-fluoro-4-hydroxyphenyl)methyl]quinoline-6-carboxamide
CID 59192233
N-[(4-fluorophenyl)methyl]quinoline-6-carboxamide
CID 59192191
N-[(2-fluoro-3-phenoxyphenyl)methyl]quinoline-6-carboxamide
CID 59192109
N-(2-phenylethyl)quinoline-6-carboxamide
CID 2823262
N-[(3-chlorophenyl)methyl]quinoline-6-carboxamide
CID 23653724
N-[[3-(trifluoromethyl)phenyl]methyl]quinoline-6-carboxamide
CID 59192094
N-[[3-(2-methylpropyl)phenyl]methyl]quinoline-6-carboxamide
CID 58387959
N-[(2,6-dimethoxyphenyl)methyl]quinoline-6-carboxamide
CID 59192099
N-[(2-fluoro-3-oct-6-enoxyphenyl)methyl]quinoline-6-carboxamide
CID 68734840
N-[(2-fluoro-3-hept-2-enoxyphenyl)methyl]quinoline-6-carboxamide
CID 68733437
N-[(3-ethynylphenyl)methyl]quinoline-6-carboxamide
CID 59192286
N-[(5-butoxy-2-fluorophenyl)methyl]quinoline-6-carboxamide
CID 59192103

Frequently Asked Questions

What is the IUPAC name of N-[[2-fluoro-4-methyl-3-[2-(3-methylphenyl)ethyl]phenyl]methyl]quinoline-6-carboxamide?
The IUPAC name of N-[[2-fluoro-4-methyl-3-[2-(3-methylphenyl)ethyl]phenyl]methyl]quinoline-6-carboxamide (CID 143959873) is N-[[2-fluoro-4-methyl-3-[2-(3-methylphenyl)ethyl]phenyl]methyl]quinoline-6-carboxamide.
What is the SMILES notation for N-[[2-fluoro-4-methyl-3-[2-(3-methylphenyl)ethyl]phenyl]methyl]quinoline-6-carboxamide?
The canonical SMILES for N-[[2-fluoro-4-methyl-3-[2-(3-methylphenyl)ethyl]phenyl]methyl]quinoline-6-carboxamide is Cc1cccc(CCc2c(C)ccc(CNC(=O)c3ccc4ncccc4c3)c2F)c1.
What is the InChIKey of N-[[2-fluoro-4-methyl-3-[2-(3-methylphenyl)ethyl]phenyl]methyl]quinoline-6-carboxamide?
The InChIKey is KKUNRXYWUIAELW-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H25FN2O/c1-18-5-3-6-20(15-18)9-12-24-19(2)8-10-23(26(24)28)17-30-27(31)22-11-13-25-21(16-22)7-4-14-29-25/h3-8,10-11,13-16H,9,12,17H2,1-2H3,(H,30,31).
What are the key properties of N-[[2-fluoro-4-methyl-3-[2-(3-methylphenyl)ethyl]phenyl]methyl]quinoline-6-carboxamide?
N-[[2-fluoro-4-methyl-3-[2-(3-methylphenyl)ethyl]phenyl]methyl]quinoline-6-carboxamide has a molecular weight of 412.51 g/mol, XLogP of 5.71, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-fluoro-4-methyl-3-[2-(3-methylphenyl)ethyl]phenyl]methyl]quinoline-6-carboxamide is sourced from PubChem (CID 143959873), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).