7-fluoro-N-[(4-fluorophenyl)-(1-methylimidazol-2-yl)methyl]-2-methylquinoline-4-carboxamide

C22H18F2N4O — CID 55607345

IUPAC7-fluoro-N-[(4-fluorophenyl)-(1-methylimidazol-2-yl)methyl]-2-methylquinoline-4-carboxamide
SMILESCc1cc(C(=O)NC(c2ccc(F)cc2)c2nccn2C)c2ccc(F)cc2n1
InChIInChI=1S/C22H18F2N4O/c1-13-11-18(17-8-7-16(24)12-19(17)26-13)22(29)27-20(21-25-9-10-28(21)2)14-3-5-15(23)6-4-14/h3-12,20H,1-2H3,(H,27,29)
InChIKeyVRHQXLPLBNZGLB-UHFFFAOYSA-N
MW392.41 g/mol
LogP4.07
Rot. Bonds4

About 7-fluoro-N-[(4-fluorophenyl)-(1-methylimidazol-2-yl)methyl]-2-methylquinoline-4-carboxamide

7-fluoro-N-[(4-fluorophenyl)-(1-methylimidazol-2-yl)methyl]-2-methylquinoline-4-carboxamide (PubChem CID 55607345) has the molecular formula C22H18F2N4O and a molecular weight of 392.41 g/mol. Its IUPAC name is 7-fluoro-N-[(4-fluorophenyl)-(1-methylimidazol-2-yl)methyl]-2-methylquinoline-4-carboxamide.

Molecular Properties

Compound Name7-fluoro-N-[(4-fluorophenyl)-(1-methylimidazol-2-yl)methyl]-2-methylquinoline-4-carboxamide
PubChem CID55607345
Molecular FormulaC22H18F2N4O
Molecular Weight392.41 g/mol
Exact Mass392.14
IUPAC Name7-fluoro-N-[(4-fluorophenyl)-(1-methylimidazol-2-yl)methyl]-2-methylquinoline-4-carboxamide
SMILESCc1cc(C(=O)NC(c2ccc(F)cc2)c2nccn2C)c2ccc(F)cc2n1
InChIInChI=1S/C22H18F2N4O/c1-13-11-18(17-8-7-16(24)12-19(17)26-13)22(29)27-20(21-25-9-10-28(21)2)14-3-5-15(23)6-4-14/h3-12,20H,1-2H3,(H,27,29)
InChIKeyVRHQXLPLBNZGLB-UHFFFAOYSA-N
XLogP4.07
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.41
LogP ≤ 54.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(3-fluorophenyl)-(1-methylimidazol-2-yl)methyl]-2-methylquinoline-4-carboxamide
CID 17452746
7-fluoro-N-[(3-fluorophenyl)-(1-methylimidazol-2-yl)methyl]-2-methylquinoline-3-carboxamide
CID 46808458
N-[(R)-(4-fluorophenyl)-(1-methylimidazol-2-yl)methyl]-2-methylsulfanylpyridine-3-carboxamide
CID 27453749
2,4-difluoro-N-[(1-methylimidazol-2-yl)-phenylmethyl]benzamide
CID 17406821
N-[(R)-(4-fluorophenyl)-(1-methylimidazol-2-yl)methyl]-3,4-dimethylbenzamide
CID 25367440
5-fluoro-N-[(S)-(4-fluorophenyl)-(1-methylimidazol-2-yl)methyl]-3-methyl-1-benzofuran-2-carboxamide
CID 25358425
2-(3,4-dimethoxyphenyl)-N-[(4-fluorophenyl)-(1-methylimidazol-2-yl)methyl]quinoline-4-carboxamide
CID 46631518
3,5-dichloro-N-[(4-fluorophenyl)-(1-methylimidazol-2-yl)methyl]benzamide
CID 46512997
N-[(4-fluorophenyl)-(1-methylimidazol-2-yl)methyl]-3,4,5-trimethoxybenzamide
CID 46516165
1-(2,4-difluorophenyl)-3-[(R)-(4-fluorophenyl)-(1-methylimidazol-2-yl)methyl]urea
CID 25390775
1-(2,4-difluorophenyl)-3-[(S)-(4-fluorophenyl)-(1-methylimidazol-2-yl)methyl]urea
CID 25390773
3,5-dichloro-N-[(4-fluorophenyl)-(1-methylimidazol-2-yl)methyl]-4-methoxybenzamide
CID 42921444

Frequently Asked Questions

What is the IUPAC name of 7-fluoro-N-[(4-fluorophenyl)-(1-methylimidazol-2-yl)methyl]-2-methylquinoline-4-carboxamide?
The IUPAC name of 7-fluoro-N-[(4-fluorophenyl)-(1-methylimidazol-2-yl)methyl]-2-methylquinoline-4-carboxamide (CID 55607345) is 7-fluoro-N-[(4-fluorophenyl)-(1-methylimidazol-2-yl)methyl]-2-methylquinoline-4-carboxamide.
What is the SMILES notation for 7-fluoro-N-[(4-fluorophenyl)-(1-methylimidazol-2-yl)methyl]-2-methylquinoline-4-carboxamide?
The canonical SMILES for 7-fluoro-N-[(4-fluorophenyl)-(1-methylimidazol-2-yl)methyl]-2-methylquinoline-4-carboxamide is Cc1cc(C(=O)NC(c2ccc(F)cc2)c2nccn2C)c2ccc(F)cc2n1.
What is the InChIKey of 7-fluoro-N-[(4-fluorophenyl)-(1-methylimidazol-2-yl)methyl]-2-methylquinoline-4-carboxamide?
The InChIKey is VRHQXLPLBNZGLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H18F2N4O/c1-13-11-18(17-8-7-16(24)12-19(17)26-13)22(29)27-20(21-25-9-10-28(21)2)14-3-5-15(23)6-4-14/h3-12,20H,1-2H3,(H,27,29).
What are the key properties of 7-fluoro-N-[(4-fluorophenyl)-(1-methylimidazol-2-yl)methyl]-2-methylquinoline-4-carboxamide?
7-fluoro-N-[(4-fluorophenyl)-(1-methylimidazol-2-yl)methyl]-2-methylquinoline-4-carboxamide has a molecular weight of 392.41 g/mol, XLogP of 4.07, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-fluoro-N-[(4-fluorophenyl)-(1-methylimidazol-2-yl)methyl]-2-methylquinoline-4-carboxamide is sourced from PubChem (CID 55607345), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).