N-(2,5-difluorophenyl)-4-hydroxy-5-methoxy-N,1-dimethyl-2-oxoquinoline-3-carboxamide

C19H16F2N2O4 — CID 54682588

IUPACN-(2,5-difluorophenyl)-4-hydroxy-5-methoxy-N,1-dimethyl-2-oxoquinoline-3-carboxamide
SMILESCOc1cccc2c1c(O)c(C(=O)N(C)c1cc(F)ccc1F)c(=O)n2C
InChIInChI=1S/C19H16F2N2O4/c1-22-12-5-4-6-14(27-3)15(12)17(24)16(18(22)25)19(26)23(2)13-9-10(20)7-8-11(13)21/h4-9,24H,1-3H3
InChIKeyMJEGPKLIGUTZKB-UHFFFAOYSA-N
MW374.34 g/mol
LogP2.81
Rot. Bonds3

About N-(2,5-difluorophenyl)-4-hydroxy-5-methoxy-N,1-dimethyl-2-oxoquinoline-3-carboxamide

N-(2,5-difluorophenyl)-4-hydroxy-5-methoxy-N,1-dimethyl-2-oxoquinoline-3-carboxamide (PubChem CID 54682588) has the molecular formula C19H16F2N2O4 and a molecular weight of 374.34 g/mol. Its IUPAC name is N-(2,5-difluorophenyl)-4-hydroxy-5-methoxy-N,1-dimethyl-2-oxoquinoline-3-carboxamide.

Molecular Properties

Compound NameN-(2,5-difluorophenyl)-4-hydroxy-5-methoxy-N,1-dimethyl-2-oxoquinoline-3-carboxamide
PubChem CID54682588
Molecular FormulaC19H16F2N2O4
Molecular Weight374.34 g/mol
Exact Mass374.11
IUPAC NameN-(2,5-difluorophenyl)-4-hydroxy-5-methoxy-N,1-dimethyl-2-oxoquinoline-3-carboxamide
SMILESCOc1cccc2c1c(O)c(C(=O)N(C)c1cc(F)ccc1F)c(=O)n2C
InChIInChI=1S/C19H16F2N2O4/c1-22-12-5-4-6-14(27-3)15(12)17(24)16(18(22)25)19(26)23(2)13-9-10(20)7-8-11(13)21/h4-9,24H,1-3H3
InChIKeyMJEGPKLIGUTZKB-UHFFFAOYSA-N
XLogP2.81
TPSA71.77 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.34
LogP ≤ 52.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(2,5-difluorophenyl)-4-hydroxy-5-methoxy-N,1-dimethyl-2-oxoquinoline-3-carboxamide?
The IUPAC name of N-(2,5-difluorophenyl)-4-hydroxy-5-methoxy-N,1-dimethyl-2-oxoquinoline-3-carboxamide (CID 54682588) is N-(2,5-difluorophenyl)-4-hydroxy-5-methoxy-N,1-dimethyl-2-oxoquinoline-3-carboxamide.
What is the SMILES notation for N-(2,5-difluorophenyl)-4-hydroxy-5-methoxy-N,1-dimethyl-2-oxoquinoline-3-carboxamide?
The canonical SMILES for N-(2,5-difluorophenyl)-4-hydroxy-5-methoxy-N,1-dimethyl-2-oxoquinoline-3-carboxamide is COc1cccc2c1c(O)c(C(=O)N(C)c1cc(F)ccc1F)c(=O)n2C.
What is the InChIKey of N-(2,5-difluorophenyl)-4-hydroxy-5-methoxy-N,1-dimethyl-2-oxoquinoline-3-carboxamide?
The InChIKey is MJEGPKLIGUTZKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16F2N2O4/c1-22-12-5-4-6-14(27-3)15(12)17(24)16(18(22)25)19(26)23(2)13-9-10(20)7-8-11(13)21/h4-9,24H,1-3H3.
What are the key properties of N-(2,5-difluorophenyl)-4-hydroxy-5-methoxy-N,1-dimethyl-2-oxoquinoline-3-carboxamide?
N-(2,5-difluorophenyl)-4-hydroxy-5-methoxy-N,1-dimethyl-2-oxoquinoline-3-carboxamide has a molecular weight of 374.34 g/mol, XLogP of 2.81, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,5-difluorophenyl)-4-hydroxy-5-methoxy-N,1-dimethyl-2-oxoquinoline-3-carboxamide is sourced from PubChem (CID 54682588), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).