6-chloro-2-(1-methylpyrazol-4-yl)-N-(1-pyridin-3-ylpropan-2-yl)quinoline-4-carboxamide

C22H20ClN5O — CID 46985625

IUPAC6-chloro-2-(1-methylpyrazol-4-yl)-N-(1-pyridin-3-ylpropan-2-yl)quinoline-4-carboxamide
SMILESCC(Cc1cccnc1)NC(=O)c1cc(-c2cnn(C)c2)nc2ccc(Cl)cc12
InChIInChI=1S/C22H20ClN5O/c1-14(8-15-4-3-7-24-11-15)26-22(29)19-10-21(16-12-25-28(2)13-16)27-20-6-5-17(23)9-18(19)20/h3-7,9-14H,8H2,1-2H3,(H,26,29)
InChIKeyRLTXFPQYIMFFFN-UHFFFAOYSA-N
MW405.89 g/mol
LogP4.04
Rot. Bonds5

About 6-chloro-2-(1-methylpyrazol-4-yl)-N-(1-pyridin-3-ylpropan-2-yl)quinoline-4-carboxamide

6-chloro-2-(1-methylpyrazol-4-yl)-N-(1-pyridin-3-ylpropan-2-yl)quinoline-4-carboxamide (PubChem CID 46985625) has the molecular formula C22H20ClN5O and a molecular weight of 405.89 g/mol. Its IUPAC name is 6-chloro-2-(1-methylpyrazol-4-yl)-N-(1-pyridin-3-ylpropan-2-yl)quinoline-4-carboxamide.

Molecular Properties

Compound Name6-chloro-2-(1-methylpyrazol-4-yl)-N-(1-pyridin-3-ylpropan-2-yl)quinoline-4-carboxamide
PubChem CID46985625
Molecular FormulaC22H20ClN5O
Molecular Weight405.89 g/mol
Exact Mass405.14
IUPAC Name6-chloro-2-(1-methylpyrazol-4-yl)-N-(1-pyridin-3-ylpropan-2-yl)quinoline-4-carboxamide
SMILESCC(Cc1cccnc1)NC(=O)c1cc(-c2cnn(C)c2)nc2ccc(Cl)cc12
InChIInChI=1S/C22H20ClN5O/c1-14(8-15-4-3-7-24-11-15)26-22(29)19-10-21(16-12-25-28(2)13-16)27-20-6-5-17(23)9-18(19)20/h3-7,9-14H,8H2,1-2H3,(H,26,29)
InChIKeyRLTXFPQYIMFFFN-UHFFFAOYSA-N
XLogP4.04
TPSA72.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.89
LogP ≤ 54.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

6-chloro-N-(1-piperidin-1-ylpropan-2-yl)-2-pyridin-3-ylquinoline-4-carboxamide
CID 2965508
2-(1-methylpyrazol-4-yl)-N-propan-2-ylquinoline-4-carboxamide
CID 19513034
6-chloro-N-[(4-chlorophenyl)methyl]-2-pyridin-3-ylquinoline-4-carboxamide
CID 50798226
2-(1-methylpyrazol-4-yl)-N-(1-pyrrolidin-1-ylpropan-2-yl)quinoline-4-carboxamide
CID 46977229
N-[1-(2-ethylpyrazol-3-yl)ethyl]-2-(1-methylpyrazol-4-yl)quinoline-4-carboxamide
CID 19518466
6-chloro-N-morpholin-4-yl-2-pyridin-3-ylquinoline-4-carboxamide
CID 1261356
2-(1-methylpyrazol-4-yl)-N-[(1-methylpyrazol-4-yl)methyl]quinoline-4-carboxamide
CID 19513012
2-methoxy-4-methyl-5-(1-pyridin-3-ylpropan-2-ylcarbamoyl)benzoic acid
CID 167897060
N-(2-adamantyl)-6-chloro-2-pyridin-3-ylquinoline-4-carboxamide
CID 1261284
N-(2-methoxyethyl)-2-(1-methylpyrazol-4-yl)quinoline-4-carboxamide
CID 19518443
N-[1-(4-chlorophenyl)propan-2-yl]-2-(4-ethoxyphenyl)quinoline-4-carboxamide
CID 46098242
2-(1-methylpyrazol-4-yl)-N-propylquinoline-4-carboxamide
CID 19513031

Frequently Asked Questions

What is the IUPAC name of 6-chloro-2-(1-methylpyrazol-4-yl)-N-(1-pyridin-3-ylpropan-2-yl)quinoline-4-carboxamide?
The IUPAC name of 6-chloro-2-(1-methylpyrazol-4-yl)-N-(1-pyridin-3-ylpropan-2-yl)quinoline-4-carboxamide (CID 46985625) is 6-chloro-2-(1-methylpyrazol-4-yl)-N-(1-pyridin-3-ylpropan-2-yl)quinoline-4-carboxamide.
What is the SMILES notation for 6-chloro-2-(1-methylpyrazol-4-yl)-N-(1-pyridin-3-ylpropan-2-yl)quinoline-4-carboxamide?
The canonical SMILES for 6-chloro-2-(1-methylpyrazol-4-yl)-N-(1-pyridin-3-ylpropan-2-yl)quinoline-4-carboxamide is CC(Cc1cccnc1)NC(=O)c1cc(-c2cnn(C)c2)nc2ccc(Cl)cc12.
What is the InChIKey of 6-chloro-2-(1-methylpyrazol-4-yl)-N-(1-pyridin-3-ylpropan-2-yl)quinoline-4-carboxamide?
The InChIKey is RLTXFPQYIMFFFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20ClN5O/c1-14(8-15-4-3-7-24-11-15)26-22(29)19-10-21(16-12-25-28(2)13-16)27-20-6-5-17(23)9-18(19)20/h3-7,9-14H,8H2,1-2H3,(H,26,29).
What are the key properties of 6-chloro-2-(1-methylpyrazol-4-yl)-N-(1-pyridin-3-ylpropan-2-yl)quinoline-4-carboxamide?
6-chloro-2-(1-methylpyrazol-4-yl)-N-(1-pyridin-3-ylpropan-2-yl)quinoline-4-carboxamide has a molecular weight of 405.89 g/mol, XLogP of 4.04, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-2-(1-methylpyrazol-4-yl)-N-(1-pyridin-3-ylpropan-2-yl)quinoline-4-carboxamide is sourced from PubChem (CID 46985625), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).