(4R)-N-[(1R)-1-(3,4-difluorophenyl)ethyl]-1-methyl-2-oxo-3,4-dihydroquinoline-4-carboxamide

C19H18F2N2O2 — CID 33277293

IUPAC(4R)-N-[(1R)-1-(3,4-difluorophenyl)ethyl]-1-methyl-2-oxo-3,4-dihydroquinoline-4-carboxamide
SMILESC[C@@H](NC(=O)[C@@H]1CC(=O)N(C)c2ccccc21)c1ccc(F)c(F)c1
InChIInChI=1S/C19H18F2N2O2/c1-11(12-7-8-15(20)16(21)9-12)22-19(25)14-10-18(24)23(2)17-6-4-3-5-13(14)17/h3-9,11,14H,10H2,1-2H3,(H,22,25)/t11-,14-/m1/s1
InChIKeyCCAJOWCGEQAYPA-BXUZGUMPSA-N
MW344.36 g/mol
LogP3.29
Rot. Bonds3

About (4R)-N-[(1R)-1-(3,4-difluorophenyl)ethyl]-1-methyl-2-oxo-3,4-dihydroquinoline-4-carboxamide

(4R)-N-[(1R)-1-(3,4-difluorophenyl)ethyl]-1-methyl-2-oxo-3,4-dihydroquinoline-4-carboxamide (PubChem CID 33277293) has the molecular formula C19H18F2N2O2 and a molecular weight of 344.36 g/mol. Its IUPAC name is (4R)-N-[(1R)-1-(3,4-difluorophenyl)ethyl]-1-methyl-2-oxo-3,4-dihydroquinoline-4-carboxamide.

Molecular Properties

Compound Name(4R)-N-[(1R)-1-(3,4-difluorophenyl)ethyl]-1-methyl-2-oxo-3,4-dihydroquinoline-4-carboxamide
PubChem CID33277293
Molecular FormulaC19H18F2N2O2
Molecular Weight344.36 g/mol
Exact Mass344.13
IUPAC Name(4R)-N-[(1R)-1-(3,4-difluorophenyl)ethyl]-1-methyl-2-oxo-3,4-dihydroquinoline-4-carboxamide
SMILESC[C@@H](NC(=O)[C@@H]1CC(=O)N(C)c2ccccc21)c1ccc(F)c(F)c1
InChIInChI=1S/C19H18F2N2O2/c1-11(12-7-8-15(20)16(21)9-12)22-19(25)14-10-18(24)23(2)17-6-4-3-5-13(14)17/h3-9,11,14H,10H2,1-2H3,(H,22,25)/t11-,14-/m1/s1
InChIKeyCCAJOWCGEQAYPA-BXUZGUMPSA-N
XLogP3.29
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.36
LogP ≤ 53.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (4R)-N-[(1R)-1-(3,4-difluorophenyl)ethyl]-1-methyl-2-oxo-3,4-dihydroquinoline-4-carboxamide?
The IUPAC name of (4R)-N-[(1R)-1-(3,4-difluorophenyl)ethyl]-1-methyl-2-oxo-3,4-dihydroquinoline-4-carboxamide (CID 33277293) is (4R)-N-[(1R)-1-(3,4-difluorophenyl)ethyl]-1-methyl-2-oxo-3,4-dihydroquinoline-4-carboxamide.
What is the SMILES notation for (4R)-N-[(1R)-1-(3,4-difluorophenyl)ethyl]-1-methyl-2-oxo-3,4-dihydroquinoline-4-carboxamide?
The canonical SMILES for (4R)-N-[(1R)-1-(3,4-difluorophenyl)ethyl]-1-methyl-2-oxo-3,4-dihydroquinoline-4-carboxamide is C[C@@H](NC(=O)[C@@H]1CC(=O)N(C)c2ccccc21)c1ccc(F)c(F)c1.
What is the InChIKey of (4R)-N-[(1R)-1-(3,4-difluorophenyl)ethyl]-1-methyl-2-oxo-3,4-dihydroquinoline-4-carboxamide?
The InChIKey is CCAJOWCGEQAYPA-BXUZGUMPSA-N. The full InChI is InChI=1S/C19H18F2N2O2/c1-11(12-7-8-15(20)16(21)9-12)22-19(25)14-10-18(24)23(2)17-6-4-3-5-13(14)17/h3-9,11,14H,10H2,1-2H3,(H,22,25)/t11-,14-/m1/s1.
What are the key properties of (4R)-N-[(1R)-1-(3,4-difluorophenyl)ethyl]-1-methyl-2-oxo-3,4-dihydroquinoline-4-carboxamide?
(4R)-N-[(1R)-1-(3,4-difluorophenyl)ethyl]-1-methyl-2-oxo-3,4-dihydroquinoline-4-carboxamide has a molecular weight of 344.36 g/mol, XLogP of 3.29, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-N-[(1R)-1-(3,4-difluorophenyl)ethyl]-1-methyl-2-oxo-3,4-dihydroquinoline-4-carboxamide is sourced from PubChem (CID 33277293), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).