N-[4-(difluoromethoxy)phenyl]-7-fluoro-2-methylquinoline-3-carboxamide

C18H13F3N2O2 — CID 46520644

IUPACN-[4-(difluoromethoxy)phenyl]-7-fluoro-2-methylquinoline-3-carboxamide
SMILESCc1nc2cc(F)ccc2cc1C(=O)Nc1ccc(OC(F)F)cc1
InChIInChI=1S/C18H13F3N2O2/c1-10-15(8-11-2-3-12(19)9-16(11)22-10)17(24)23-13-4-6-14(7-5-13)25-18(20)21/h2-9,18H,1H3,(H,23,24)
InChIKeyGNFAEDVPXQBKJJ-UHFFFAOYSA-N
MW346.31 g/mol
LogP4.54
Rot. Bonds4

About N-[4-(difluoromethoxy)phenyl]-7-fluoro-2-methylquinoline-3-carboxamide

N-[4-(difluoromethoxy)phenyl]-7-fluoro-2-methylquinoline-3-carboxamide (PubChem CID 46520644) has the molecular formula C18H13F3N2O2 and a molecular weight of 346.31 g/mol. Its IUPAC name is N-[4-(difluoromethoxy)phenyl]-7-fluoro-2-methylquinoline-3-carboxamide.

Molecular Properties

Compound NameN-[4-(difluoromethoxy)phenyl]-7-fluoro-2-methylquinoline-3-carboxamide
PubChem CID46520644
Molecular FormulaC18H13F3N2O2
Molecular Weight346.31 g/mol
Exact Mass346.09
IUPAC NameN-[4-(difluoromethoxy)phenyl]-7-fluoro-2-methylquinoline-3-carboxamide
SMILESCc1nc2cc(F)ccc2cc1C(=O)Nc1ccc(OC(F)F)cc1
InChIInChI=1S/C18H13F3N2O2/c1-10-15(8-11-2-3-12(19)9-16(11)22-10)17(24)23-13-4-6-14(7-5-13)25-18(20)21/h2-9,18H,1H3,(H,23,24)
InChIKeyGNFAEDVPXQBKJJ-UHFFFAOYSA-N
XLogP4.54
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.31
LogP ≤ 54.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(4-ethylphenyl)-7-fluoro-2-methylquinoline-3-carboxamide
CID 46520271
N-[4-(2,2-dimethylpropanoylamino)phenyl]-7-fluoro-2-methylquinoline-3-carboxamide
CID 24641732
methyl N-[3-[(7-fluoro-2-methylquinoline-3-carbonyl)amino]phenyl]carbamate
CID 87025782
2-bromo-N-[4-(difluoromethoxy)phenyl]-4-fluorobenzamide
CID 9273476
N-(3,5-difluorophenyl)-7-methoxy-2-methylquinoline-3-carboxamide
CID 34319138
N-[[4-(difluoromethoxy)phenyl]methyl]-2,7-dimethylquinoline-3-carboxamide
CID 38797474
7-fluoro-N-[2-(4-methoxyphenyl)ethyl]-2-methylquinoline-3-carboxamide
CID 17484983
N-[(2S)-1-aminopropan-2-yl]-7-fluoro-2-methylquinoline-3-carboxamide
CID 120504965
N-[4-(2-amino-2-oxoethyl)phenyl]-7-methoxy-2-methylquinoline-3-carboxamide
CID 31859590
N-(4-methoxyphenyl)-2,6-dimethylquinoline-3-carboxamide
CID 34742642
7-fluoro-N-(3-methoxypropyl)-2-methylquinoline-3-carboxamide
CID 46532107
7-fluoro-2-methyl-N-(2-propoxyphenyl)quinoline-3-carboxamide
CID 46808171

Frequently Asked Questions

What is the IUPAC name of N-[4-(difluoromethoxy)phenyl]-7-fluoro-2-methylquinoline-3-carboxamide?
The IUPAC name of N-[4-(difluoromethoxy)phenyl]-7-fluoro-2-methylquinoline-3-carboxamide (CID 46520644) is N-[4-(difluoromethoxy)phenyl]-7-fluoro-2-methylquinoline-3-carboxamide.
What is the SMILES notation for N-[4-(difluoromethoxy)phenyl]-7-fluoro-2-methylquinoline-3-carboxamide?
The canonical SMILES for N-[4-(difluoromethoxy)phenyl]-7-fluoro-2-methylquinoline-3-carboxamide is Cc1nc2cc(F)ccc2cc1C(=O)Nc1ccc(OC(F)F)cc1.
What is the InChIKey of N-[4-(difluoromethoxy)phenyl]-7-fluoro-2-methylquinoline-3-carboxamide?
The InChIKey is GNFAEDVPXQBKJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H13F3N2O2/c1-10-15(8-11-2-3-12(19)9-16(11)22-10)17(24)23-13-4-6-14(7-5-13)25-18(20)21/h2-9,18H,1H3,(H,23,24).
What are the key properties of N-[4-(difluoromethoxy)phenyl]-7-fluoro-2-methylquinoline-3-carboxamide?
N-[4-(difluoromethoxy)phenyl]-7-fluoro-2-methylquinoline-3-carboxamide has a molecular weight of 346.31 g/mol, XLogP of 4.54, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(difluoromethoxy)phenyl]-7-fluoro-2-methylquinoline-3-carboxamide is sourced from PubChem (CID 46520644), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).