N-(1-benzylpyrazol-4-yl)-6,6-dimethyl-2-oxo-1,5,7,8-tetrahydroquinoline-3-carboxamide

C22H24N4O2 — CID 167865040

IUPACN-(1-benzylpyrazol-4-yl)-6,6-dimethyl-2-oxo-1,5,7,8-tetrahydroquinoline-3-carboxamide
SMILESCC1(C)CCc2[nH]c(=O)c(C(=O)Nc3cnn(Cc4ccccc4)c3)cc2C1
InChIInChI=1S/C22H24N4O2/c1-22(2)9-8-19-16(11-22)10-18(21(28)25-19)20(27)24-17-12-23-26(14-17)13-15-6-4-3-5-7-15/h3-7,10,12,14H,8-9,11,13H2,1-2H3,(H,24,27)(H,25,28)
InChIKeyBSBMPKMXHJDYLJ-UHFFFAOYSA-N
MW376.46 g/mol
LogP3.39
Rot. Bonds4

About N-(1-benzylpyrazol-4-yl)-6,6-dimethyl-2-oxo-1,5,7,8-tetrahydroquinoline-3-carboxamide

N-(1-benzylpyrazol-4-yl)-6,6-dimethyl-2-oxo-1,5,7,8-tetrahydroquinoline-3-carboxamide (PubChem CID 167865040) has the molecular formula C22H24N4O2 and a molecular weight of 376.46 g/mol. Its IUPAC name is N-(1-benzylpyrazol-4-yl)-6,6-dimethyl-2-oxo-1,5,7,8-tetrahydroquinoline-3-carboxamide.

Molecular Properties

Compound NameN-(1-benzylpyrazol-4-yl)-6,6-dimethyl-2-oxo-1,5,7,8-tetrahydroquinoline-3-carboxamide
PubChem CID167865040
Molecular FormulaC22H24N4O2
Molecular Weight376.46 g/mol
Exact Mass376.19
IUPAC NameN-(1-benzylpyrazol-4-yl)-6,6-dimethyl-2-oxo-1,5,7,8-tetrahydroquinoline-3-carboxamide
SMILESCC1(C)CCc2[nH]c(=O)c(C(=O)Nc3cnn(Cc4ccccc4)c3)cc2C1
InChIInChI=1S/C22H24N4O2/c1-22(2)9-8-19-16(11-22)10-18(21(28)25-19)20(27)24-17-12-23-26(14-17)13-15-6-4-3-5-7-15/h3-7,10,12,14H,8-9,11,13H2,1-2H3,(H,24,27)(H,25,28)
InChIKeyBSBMPKMXHJDYLJ-UHFFFAOYSA-N
XLogP3.39
TPSA79.78 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.46
LogP ≤ 53.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of N-(1-benzylpyrazol-4-yl)-6,6-dimethyl-2-oxo-1,5,7,8-tetrahydroquinoline-3-carboxamide?
The IUPAC name of N-(1-benzylpyrazol-4-yl)-6,6-dimethyl-2-oxo-1,5,7,8-tetrahydroquinoline-3-carboxamide (CID 167865040) is N-(1-benzylpyrazol-4-yl)-6,6-dimethyl-2-oxo-1,5,7,8-tetrahydroquinoline-3-carboxamide.
What is the SMILES notation for N-(1-benzylpyrazol-4-yl)-6,6-dimethyl-2-oxo-1,5,7,8-tetrahydroquinoline-3-carboxamide?
The canonical SMILES for N-(1-benzylpyrazol-4-yl)-6,6-dimethyl-2-oxo-1,5,7,8-tetrahydroquinoline-3-carboxamide is CC1(C)CCc2[nH]c(=O)c(C(=O)Nc3cnn(Cc4ccccc4)c3)cc2C1.
What is the InChIKey of N-(1-benzylpyrazol-4-yl)-6,6-dimethyl-2-oxo-1,5,7,8-tetrahydroquinoline-3-carboxamide?
The InChIKey is BSBMPKMXHJDYLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24N4O2/c1-22(2)9-8-19-16(11-22)10-18(21(28)25-19)20(27)24-17-12-23-26(14-17)13-15-6-4-3-5-7-15/h3-7,10,12,14H,8-9,11,13H2,1-2H3,(H,24,27)(H,25,28).
What are the key properties of N-(1-benzylpyrazol-4-yl)-6,6-dimethyl-2-oxo-1,5,7,8-tetrahydroquinoline-3-carboxamide?
N-(1-benzylpyrazol-4-yl)-6,6-dimethyl-2-oxo-1,5,7,8-tetrahydroquinoline-3-carboxamide has a molecular weight of 376.46 g/mol, XLogP of 3.39, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-benzylpyrazol-4-yl)-6,6-dimethyl-2-oxo-1,5,7,8-tetrahydroquinoline-3-carboxamide is sourced from PubChem (CID 167865040), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).