4-(5-chloro-3-methyl-1-phenylpyrazol-4-yl)-2-methyl-N-(3-methyl-2-pyridinyl)-5-oxo-7-phenyl-4,6,7,8-tetrahydro-3H-quinoline-3-carboxamide

C33H30ClN5O2 — CID 74712349

IUPAC4-(5-chloro-3-methyl-1-phenylpyrazol-4-yl)-2-methyl-N-(3-methyl-2-pyridinyl)-5-oxo-7-phenyl-4,6,7,8-tetrahydro-3H-quinoline-3-carboxamide
SMILESCC1=NC2=C(C(=O)CC(c3ccccc3)C2)C(c2c(C)nn(-c3ccccc3)c2Cl)C1C(=O)Nc1ncccc1C
InChIInChI=1S/C33H30ClN5O2/c1-19-11-10-16-35-32(19)37-33(41)28-20(2)36-25-17-23(22-12-6-4-7-13-22)18-26(40)29(25)30(28)27-21(3)38-39(31(27)34)24-14-8-5-9-15-24/h4-16,23,28,30H,17-18H2,1-3H3,(H,35,37,41)
InChIKeyJJLJHJYDCNSHBQ-UHFFFAOYSA-N
MW564.09 g/mol
LogP6.75
Rot. Bonds5

About 4-(5-chloro-3-methyl-1-phenylpyrazol-4-yl)-2-methyl-N-(3-methyl-2-pyridinyl)-5-oxo-7-phenyl-4,6,7,8-tetrahydro-3H-quinoline-3-carboxamide

4-(5-chloro-3-methyl-1-phenylpyrazol-4-yl)-2-methyl-N-(3-methyl-2-pyridinyl)-5-oxo-7-phenyl-4,6,7,8-tetrahydro-3H-quinoline-3-carboxamide (PubChem CID 74712349) has the molecular formula C33H30ClN5O2 and a molecular weight of 564.09 g/mol. Its IUPAC name is 4-(5-chloro-3-methyl-1-phenylpyrazol-4-yl)-2-methyl-N-(3-methyl-2-pyridinyl)-5-oxo-7-phenyl-4,6,7,8-tetrahydro-3H-quinoline-3-carboxamide.

Molecular Properties

Compound Name4-(5-chloro-3-methyl-1-phenylpyrazol-4-yl)-2-methyl-N-(3-methyl-2-pyridinyl)-5-oxo-7-phenyl-4,6,7,8-tetrahydro-3H-quinoline-3-carboxamide
PubChem CID74712349
Molecular FormulaC33H30ClN5O2
Molecular Weight564.09 g/mol
Exact Mass563.21
IUPAC Name4-(5-chloro-3-methyl-1-phenylpyrazol-4-yl)-2-methyl-N-(3-methyl-2-pyridinyl)-5-oxo-7-phenyl-4,6,7,8-tetrahydro-3H-quinoline-3-carboxamide
SMILESCC1=NC2=C(C(=O)CC(c3ccccc3)C2)C(c2c(C)nn(-c3ccccc3)c2Cl)C1C(=O)Nc1ncccc1C
InChIInChI=1S/C33H30ClN5O2/c1-19-11-10-16-35-32(19)37-33(41)28-20(2)36-25-17-23(22-12-6-4-7-13-22)18-26(40)29(25)30(28)27-21(3)38-39(31(27)34)24-14-8-5-9-15-24/h4-16,23,28,30H,17-18H2,1-3H3,(H,35,37,41)
InChIKeyJJLJHJYDCNSHBQ-UHFFFAOYSA-N
XLogP6.75
TPSA89.24 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms41
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500564.09
LogP ≤ 56.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 4-(5-chloro-3-methyl-1-phenylpyrazol-4-yl)-2-methyl-N-(3-methyl-2-pyridinyl)-5-oxo-7-phenyl-4,6,7,8-tetrahydro-3H-quinoline-3-carboxamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of 4-(5-chloro-3-methyl-1-phenylpyrazol-4-yl)-2-methyl-N-(3-methyl-2-pyridinyl)-5-oxo-7-phenyl-4,6,7,8-tetrahydro-3H-quinoline-3-carboxamide?
The IUPAC name of 4-(5-chloro-3-methyl-1-phenylpyrazol-4-yl)-2-methyl-N-(3-methyl-2-pyridinyl)-5-oxo-7-phenyl-4,6,7,8-tetrahydro-3H-quinoline-3-carboxamide (CID 74712349) is 4-(5-chloro-3-methyl-1-phenylpyrazol-4-yl)-2-methyl-N-(3-methyl-2-pyridinyl)-5-oxo-7-phenyl-4,6,7,8-tetrahydro-3H-quinoline-3-carboxamide.
What is the SMILES notation for 4-(5-chloro-3-methyl-1-phenylpyrazol-4-yl)-2-methyl-N-(3-methyl-2-pyridinyl)-5-oxo-7-phenyl-4,6,7,8-tetrahydro-3H-quinoline-3-carboxamide?
The canonical SMILES for 4-(5-chloro-3-methyl-1-phenylpyrazol-4-yl)-2-methyl-N-(3-methyl-2-pyridinyl)-5-oxo-7-phenyl-4,6,7,8-tetrahydro-3H-quinoline-3-carboxamide is CC1=NC2=C(C(=O)CC(c3ccccc3)C2)C(c2c(C)nn(-c3ccccc3)c2Cl)C1C(=O)Nc1ncccc1C.
What is the InChIKey of 4-(5-chloro-3-methyl-1-phenylpyrazol-4-yl)-2-methyl-N-(3-methyl-2-pyridinyl)-5-oxo-7-phenyl-4,6,7,8-tetrahydro-3H-quinoline-3-carboxamide?
The InChIKey is JJLJHJYDCNSHBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H30ClN5O2/c1-19-11-10-16-35-32(19)37-33(41)28-20(2)36-25-17-23(22-12-6-4-7-13-22)18-26(40)29(25)30(28)27-21(3)38-39(31(27)34)24-14-8-5-9-15-24/h4-16,23,28,30H,17-18H2,1-3H3,(H,35,37,41).
What are the key properties of 4-(5-chloro-3-methyl-1-phenylpyrazol-4-yl)-2-methyl-N-(3-methyl-2-pyridinyl)-5-oxo-7-phenyl-4,6,7,8-tetrahydro-3H-quinoline-3-carboxamide?
4-(5-chloro-3-methyl-1-phenylpyrazol-4-yl)-2-methyl-N-(3-methyl-2-pyridinyl)-5-oxo-7-phenyl-4,6,7,8-tetrahydro-3H-quinoline-3-carboxamide has a molecular weight of 564.09 g/mol, XLogP of 6.75, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(5-chloro-3-methyl-1-phenylpyrazol-4-yl)-2-methyl-N-(3-methyl-2-pyridinyl)-5-oxo-7-phenyl-4,6,7,8-tetrahydro-3H-quinoline-3-carboxamide is sourced from PubChem (CID 74712349), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).