1-(4-fluorophenyl)-N-[4-[[3-(1-methylpyrazol-4-yl)-4-pyridinyl]oxy]phenyl]-2,5-dioxo-7,8-dihydro-6H-quinoline-3-carboxamide

C31H24FN5O4 — CID 164613439

IUPAC1-(4-fluorophenyl)-N-[4-[[3-(1-methylpyrazol-4-yl)-4-pyridinyl]oxy]phenyl]-2,5-dioxo-7,8-dihydro-6H-quinoline-3-carboxamide
SMILESCn1cc(-c2cnccc2Oc2ccc(NC(=O)c3cc4c(n(-c5ccc(F)cc5)c3=O)CCCC4=O)cc2)cn1
InChIInChI=1S/C31H24FN5O4/c1-36-18-19(16-34-36)26-17-33-14-13-29(26)41-23-11-7-21(8-12-23)35-30(39)25-15-24-27(3-2-4-28(24)38)37(31(25)40)22-9-5-20(32)6-10-22/h5-18H,2-4H2,1H3,(H,35,39)
InChIKeyVOWHQCVOEPJKKJ-UHFFFAOYSA-N
MW549.56 g/mol
LogP5.34
Rot. Bonds6

About 1-(4-fluorophenyl)-N-[4-[[3-(1-methylpyrazol-4-yl)-4-pyridinyl]oxy]phenyl]-2,5-dioxo-7,8-dihydro-6H-quinoline-3-carboxamide

1-(4-fluorophenyl)-N-[4-[[3-(1-methylpyrazol-4-yl)-4-pyridinyl]oxy]phenyl]-2,5-dioxo-7,8-dihydro-6H-quinoline-3-carboxamide (PubChem CID 164613439) has the molecular formula C31H24FN5O4 and a molecular weight of 549.56 g/mol. Its IUPAC name is 1-(4-fluorophenyl)-N-[4-[[3-(1-methylpyrazol-4-yl)-4-pyridinyl]oxy]phenyl]-2,5-dioxo-7,8-dihydro-6H-quinoline-3-carboxamide.

Molecular Properties

Compound Name1-(4-fluorophenyl)-N-[4-[[3-(1-methylpyrazol-4-yl)-4-pyridinyl]oxy]phenyl]-2,5-dioxo-7,8-dihydro-6H-quinoline-3-carboxamide
PubChem CID164613439
Molecular FormulaC31H24FN5O4
Molecular Weight549.56 g/mol
Exact Mass549.18
IUPAC Name1-(4-fluorophenyl)-N-[4-[[3-(1-methylpyrazol-4-yl)-4-pyridinyl]oxy]phenyl]-2,5-dioxo-7,8-dihydro-6H-quinoline-3-carboxamide
SMILESCn1cc(-c2cnccc2Oc2ccc(NC(=O)c3cc4c(n(-c5ccc(F)cc5)c3=O)CCCC4=O)cc2)cn1
InChIInChI=1S/C31H24FN5O4/c1-36-18-19(16-34-36)26-17-33-14-13-29(26)41-23-11-7-21(8-12-23)35-30(39)25-15-24-27(3-2-4-28(24)38)37(31(25)40)22-9-5-20(32)6-10-22/h5-18H,2-4H2,1H3,(H,35,39)
InChIKeyVOWHQCVOEPJKKJ-UHFFFAOYSA-N
XLogP5.34
TPSA108.11 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms41
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500549.56
LogP ≤ 55.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Related Compounds

3-(2-Quinolin-4-yl-2H-pyrazol-3-yl)-1-[4-(2,2,2-trifluoro-ethoxy)-phenyl]-1H-pyridazin-4-one
CID 46209520
N-[4-[[2-(1,3-dimethylpyrazol-4-yl)-4-pyridinyl]oxy]-3-fluorophenyl]-3-(4-fluorophenyl)-2,4-dioxo-1-propan-2-ylpyrimidine-5-carboxamide
CID 156138575
3-(4-fluorophenyl)-N-[3-fluoro-4-[[2-(1H-pyrazol-4-yl)-4-pyridinyl]oxy]phenyl]-2,4-dioxo-1-propan-2-ylpyrimidine-5-carboxamide
CID 156138606
N-[3-fluoro-4-[[2-(1-methylpyrazol-4-yl)-4-pyridinyl]oxy]phenyl]-3-(4-fluorophenyl)-2,4-dioxo-1-propan-2-ylpyrimidine-5-carboxamide
CID 156138911
N-[[3-fluoro-4-[[2-(1-methylpyrazol-4-yl)-4-pyridinyl]oxy]phenyl]carbamoyl]-2-(4-fluorophenyl)acetamide
CID 45378043
3-(4-fluorophenyl)-N-[4-[[3-(1-methylpyrazol-4-yl)-4-pyridinyl]oxy]phenyl]-1-(oxan-4-ylmethyl)-2,4-dioxopyrimidine-5-carboxamide
CID 156138560
N-[4-[[2-(1-cyclopropylpyrazol-4-yl)-4-pyridinyl]oxy]-3-fluorophenyl]-3-(4-fluorophenyl)-2,4-dioxo-1-propan-2-ylpyrimidine-5-carboxamide
CID 156138579
4-(4-fluorophenyl)-N-[4-[[3-(1-methylpyrazol-4-yl)-4-pyridinyl]oxy]phenyl]-3,5-dioxo-2-propan-2-yl-1,2,4-triazine-6-carboxamide
CID 156138583
N-[2,5-difluoro-4-[[2-(1-methylpyrazol-4-yl)-4-pyridinyl]oxy]phenyl]-3-(4-fluorophenyl)-2,4-dioxo-1-propan-2-ylpyrimidine-5-carboxamide
CID 156138585
3-(4-fluorophenyl)-N-[3-methyl-4-[[2-(1-methylpyrazol-4-yl)-4-pyridinyl]oxy]phenyl]-2,4-dioxo-1-propan-2-ylpyrimidine-5-carboxamide
CID 156138595
3-(4-fluorophenyl)-N-[4-[[2-(1-methylpyrazol-4-yl)-4-pyridinyl]oxy]phenyl]-2,4-dioxo-1-propan-2-ylpyrimidine-5-carboxamide
CID 156138597
N-[3,5-difluoro-4-[[2-(1-methylpyrazol-4-yl)-4-pyridinyl]oxy]phenyl]-3-(4-fluorophenyl)-2,4-dioxo-1-propan-2-ylpyrimidine-5-carboxamide
CID 156138619

Frequently Asked Questions

What is the IUPAC name of 1-(4-fluorophenyl)-N-[4-[[3-(1-methylpyrazol-4-yl)-4-pyridinyl]oxy]phenyl]-2,5-dioxo-7,8-dihydro-6H-quinoline-3-carboxamide?
The IUPAC name of 1-(4-fluorophenyl)-N-[4-[[3-(1-methylpyrazol-4-yl)-4-pyridinyl]oxy]phenyl]-2,5-dioxo-7,8-dihydro-6H-quinoline-3-carboxamide (CID 164613439) is 1-(4-fluorophenyl)-N-[4-[[3-(1-methylpyrazol-4-yl)-4-pyridinyl]oxy]phenyl]-2,5-dioxo-7,8-dihydro-6H-quinoline-3-carboxamide.
What is the SMILES notation for 1-(4-fluorophenyl)-N-[4-[[3-(1-methylpyrazol-4-yl)-4-pyridinyl]oxy]phenyl]-2,5-dioxo-7,8-dihydro-6H-quinoline-3-carboxamide?
The canonical SMILES for 1-(4-fluorophenyl)-N-[4-[[3-(1-methylpyrazol-4-yl)-4-pyridinyl]oxy]phenyl]-2,5-dioxo-7,8-dihydro-6H-quinoline-3-carboxamide is Cn1cc(-c2cnccc2Oc2ccc(NC(=O)c3cc4c(n(-c5ccc(F)cc5)c3=O)CCCC4=O)cc2)cn1.
What is the InChIKey of 1-(4-fluorophenyl)-N-[4-[[3-(1-methylpyrazol-4-yl)-4-pyridinyl]oxy]phenyl]-2,5-dioxo-7,8-dihydro-6H-quinoline-3-carboxamide?
The InChIKey is VOWHQCVOEPJKKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H24FN5O4/c1-36-18-19(16-34-36)26-17-33-14-13-29(26)41-23-11-7-21(8-12-23)35-30(39)25-15-24-27(3-2-4-28(24)38)37(31(25)40)22-9-5-20(32)6-10-22/h5-18H,2-4H2,1H3,(H,35,39).
What are the key properties of 1-(4-fluorophenyl)-N-[4-[[3-(1-methylpyrazol-4-yl)-4-pyridinyl]oxy]phenyl]-2,5-dioxo-7,8-dihydro-6H-quinoline-3-carboxamide?
1-(4-fluorophenyl)-N-[4-[[3-(1-methylpyrazol-4-yl)-4-pyridinyl]oxy]phenyl]-2,5-dioxo-7,8-dihydro-6H-quinoline-3-carboxamide has a molecular weight of 549.56 g/mol, XLogP of 5.34, 6 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-fluorophenyl)-N-[4-[[3-(1-methylpyrazol-4-yl)-4-pyridinyl]oxy]phenyl]-2,5-dioxo-7,8-dihydro-6H-quinoline-3-carboxamide is sourced from PubChem (CID 164613439), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).