N-[[1-(2,6-difluorophenyl)cyclopropyl]methyl]-3-methylquinoline-4-carboxamide

C21H18F2N2O — CID 166343121

IUPACN-[[1-(2,6-difluorophenyl)cyclopropyl]methyl]-3-methylquinoline-4-carboxamide
SMILESCc1cnc2ccccc2c1C(=O)NCC1(c2c(F)cccc2F)CC1
InChIInChI=1S/C21H18F2N2O/c1-13-11-24-17-8-3-2-5-14(17)18(13)20(26)25-12-21(9-10-21)19-15(22)6-4-7-16(19)23/h2-8,11H,9-10,12H2,1H3,(H,25,26)
InChIKeyVOBAHHKWBQGIBJ-UHFFFAOYSA-N
MW352.38 g/mol
LogP4.28
Rot. Bonds4

About N-[[1-(2,6-difluorophenyl)cyclopropyl]methyl]-3-methylquinoline-4-carboxamide

N-[[1-(2,6-difluorophenyl)cyclopropyl]methyl]-3-methylquinoline-4-carboxamide (PubChem CID 166343121) has the molecular formula C21H18F2N2O and a molecular weight of 352.38 g/mol. Its IUPAC name is N-[[1-(2,6-difluorophenyl)cyclopropyl]methyl]-3-methylquinoline-4-carboxamide.

Molecular Properties

Compound NameN-[[1-(2,6-difluorophenyl)cyclopropyl]methyl]-3-methylquinoline-4-carboxamide
PubChem CID166343121
Molecular FormulaC21H18F2N2O
Molecular Weight352.38 g/mol
Exact Mass352.14
IUPAC NameN-[[1-(2,6-difluorophenyl)cyclopropyl]methyl]-3-methylquinoline-4-carboxamide
SMILESCc1cnc2ccccc2c1C(=O)NCC1(c2c(F)cccc2F)CC1
InChIInChI=1S/C21H18F2N2O/c1-13-11-24-17-8-3-2-5-14(17)18(13)20(26)25-12-21(9-10-21)19-15(22)6-4-7-16(19)23/h2-8,11H,9-10,12H2,1H3,(H,25,26)
InChIKeyVOBAHHKWBQGIBJ-UHFFFAOYSA-N
XLogP4.28
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.38
LogP ≤ 54.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-[[1-(2,6-difluorophenyl)cyclopropyl]methyl]-3-methylquinoline-4-carboxamide?
The IUPAC name of N-[[1-(2,6-difluorophenyl)cyclopropyl]methyl]-3-methylquinoline-4-carboxamide (CID 166343121) is N-[[1-(2,6-difluorophenyl)cyclopropyl]methyl]-3-methylquinoline-4-carboxamide.
What is the SMILES notation for N-[[1-(2,6-difluorophenyl)cyclopropyl]methyl]-3-methylquinoline-4-carboxamide?
The canonical SMILES for N-[[1-(2,6-difluorophenyl)cyclopropyl]methyl]-3-methylquinoline-4-carboxamide is Cc1cnc2ccccc2c1C(=O)NCC1(c2c(F)cccc2F)CC1.
What is the InChIKey of N-[[1-(2,6-difluorophenyl)cyclopropyl]methyl]-3-methylquinoline-4-carboxamide?
The InChIKey is VOBAHHKWBQGIBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18F2N2O/c1-13-11-24-17-8-3-2-5-14(17)18(13)20(26)25-12-21(9-10-21)19-15(22)6-4-7-16(19)23/h2-8,11H,9-10,12H2,1H3,(H,25,26).
What are the key properties of N-[[1-(2,6-difluorophenyl)cyclopropyl]methyl]-3-methylquinoline-4-carboxamide?
N-[[1-(2,6-difluorophenyl)cyclopropyl]methyl]-3-methylquinoline-4-carboxamide has a molecular weight of 352.38 g/mol, XLogP of 4.28, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-(2,6-difluorophenyl)cyclopropyl]methyl]-3-methylquinoline-4-carboxamide is sourced from PubChem (CID 166343121), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).