N-(5-carbamoyl-2,4-difluorophenyl)-2,5-dioxo-1,6,7,8-tetrahydroquinoline-3-carboxamide

C17H13F2N3O4 — CID 167952448

IUPACN-(5-carbamoyl-2,4-difluorophenyl)-2,5-dioxo-1,6,7,8-tetrahydroquinoline-3-carboxamide
SMILESNC(=O)c1cc(NC(=O)c2cc3c([nH]c2=O)CCCC3=O)c(F)cc1F
InChIInChI=1S/C17H13F2N3O4/c18-10-6-11(19)13(5-7(10)15(20)24)22-17(26)9-4-8-12(21-16(9)25)2-1-3-14(8)23/h4-6H,1-3H2,(H2,20,24)(H,21,25)(H,22,26)
InChIKeyYAKOXGLMDCOUHF-UHFFFAOYSA-N
MW361.30 g/mol
LogP1.52
Rot. Bonds3

About N-(5-carbamoyl-2,4-difluorophenyl)-2,5-dioxo-1,6,7,8-tetrahydroquinoline-3-carboxamide

N-(5-carbamoyl-2,4-difluorophenyl)-2,5-dioxo-1,6,7,8-tetrahydroquinoline-3-carboxamide (PubChem CID 167952448) has the molecular formula C17H13F2N3O4 and a molecular weight of 361.30 g/mol. Its IUPAC name is N-(5-carbamoyl-2,4-difluorophenyl)-2,5-dioxo-1,6,7,8-tetrahydroquinoline-3-carboxamide.

Molecular Properties

Compound NameN-(5-carbamoyl-2,4-difluorophenyl)-2,5-dioxo-1,6,7,8-tetrahydroquinoline-3-carboxamide
PubChem CID167952448
Molecular FormulaC17H13F2N3O4
Molecular Weight361.30 g/mol
Exact Mass361.09
IUPAC NameN-(5-carbamoyl-2,4-difluorophenyl)-2,5-dioxo-1,6,7,8-tetrahydroquinoline-3-carboxamide
SMILESNC(=O)c1cc(NC(=O)c2cc3c([nH]c2=O)CCCC3=O)c(F)cc1F
InChIInChI=1S/C17H13F2N3O4/c18-10-6-11(19)13(5-7(10)15(20)24)22-17(26)9-4-8-12(21-16(9)25)2-1-3-14(8)23/h4-6H,1-3H2,(H2,20,24)(H,21,25)(H,22,26)
InChIKeyYAKOXGLMDCOUHF-UHFFFAOYSA-N
XLogP1.52
TPSA122.12 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.30
LogP ≤ 51.52
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze N-(5-carbamoyl-2,4-difluorophenyl)-2,5-dioxo-1,6,7,8-tetrahydroquinoline-3-carboxamide with MolForge

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Related Compounds

N-(2-bromophenyl)-2,5-dioxo-1,6,7,8-tetrahydroquinoline-3-carboxamide
CID 66495526
N-(3-chloro-4-fluorophenyl)-2,5-dioxo-1,6,7,8-tetrahydroquinoline-3-carboxamide
CID 36764947
N-naphthalen-1-yl-2,5-dioxo-1,6,7,8-tetrahydroquinoline-3-carboxamide
CID 56923268
N-(2,4-dimethylphenyl)-2,5-dioxo-1,6,7,8-tetrahydroquinoline-3-carboxamide
CID 36704964
N-(2,3-dimethylphenyl)-2,5-dioxo-1,6,7,8-tetrahydroquinoline-3-carboxamide
CID 33330216
2,5-dioxo-N-(2-prop-2-enylsulfanylphenyl)-1,6,7,8-tetrahydroquinoline-3-carboxamide
CID 33331086
2,5-dioxo-N-[4-(2,2,2-trifluoroethoxy)phenyl]-1,6,7,8-tetrahydroquinoline-3-carboxamide
CID 46552704
2,5-dioxo-N-[3-(trifluoromethoxy)phenyl]-1,6,7,8-tetrahydroquinoline-3-carboxamide
CID 66495557
N-(2-methoxyethyl)-2,5-dioxo-1,6,7,8-tetrahydroquinoline-3-carboxamide
CID 36656888
N-[2-[[cyclohexyl(methyl)amino]methyl]phenyl]-2,5-dioxo-1,6,7,8-tetrahydroquinoline-3-carboxamide
CID 39977206
N-[(1S,2R)-2-methylcyclohexyl]-2,5-dioxo-1,6,7,8-tetrahydroquinoline-3-carboxamide
CID 36811908
5-(cyclohexylamino)-2,4-difluorobenzamide
CID 43673780

Frequently Asked Questions

What is the IUPAC name of N-(5-carbamoyl-2,4-difluorophenyl)-2,5-dioxo-1,6,7,8-tetrahydroquinoline-3-carboxamide?
The IUPAC name of N-(5-carbamoyl-2,4-difluorophenyl)-2,5-dioxo-1,6,7,8-tetrahydroquinoline-3-carboxamide (CID 167952448) is N-(5-carbamoyl-2,4-difluorophenyl)-2,5-dioxo-1,6,7,8-tetrahydroquinoline-3-carboxamide.
What is the SMILES notation for N-(5-carbamoyl-2,4-difluorophenyl)-2,5-dioxo-1,6,7,8-tetrahydroquinoline-3-carboxamide?
The canonical SMILES for N-(5-carbamoyl-2,4-difluorophenyl)-2,5-dioxo-1,6,7,8-tetrahydroquinoline-3-carboxamide is NC(=O)c1cc(NC(=O)c2cc3c([nH]c2=O)CCCC3=O)c(F)cc1F.
What is the InChIKey of N-(5-carbamoyl-2,4-difluorophenyl)-2,5-dioxo-1,6,7,8-tetrahydroquinoline-3-carboxamide?
The InChIKey is YAKOXGLMDCOUHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13F2N3O4/c18-10-6-11(19)13(5-7(10)15(20)24)22-17(26)9-4-8-12(21-16(9)25)2-1-3-14(8)23/h4-6H,1-3H2,(H2,20,24)(H,21,25)(H,22,26).
What are the key properties of N-(5-carbamoyl-2,4-difluorophenyl)-2,5-dioxo-1,6,7,8-tetrahydroquinoline-3-carboxamide?
N-(5-carbamoyl-2,4-difluorophenyl)-2,5-dioxo-1,6,7,8-tetrahydroquinoline-3-carboxamide has a molecular weight of 361.30 g/mol, XLogP of 1.52, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-carbamoyl-2,4-difluorophenyl)-2,5-dioxo-1,6,7,8-tetrahydroquinoline-3-carboxamide is sourced from PubChem (CID 167952448), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).