7-chloro-8-methyl-N-[3-(5-methylpyrazol-1-yl)propyl]-2-pyridin-2-ylquinoline-4-carboxamide

C23H22ClN5O — CID 2220968

IUPAC7-chloro-8-methyl-N-[3-(5-methylpyrazol-1-yl)propyl]-2-pyridin-2-ylquinoline-4-carboxamide
SMILESCc1c(Cl)ccc2c(C(=O)NCCCn3nccc3C)cc(-c3ccccn3)nc12
InChIInChI=1S/C23H22ClN5O/c1-15-9-12-27-29(15)13-5-11-26-23(30)18-14-21(20-6-3-4-10-25-20)28-22-16(2)19(24)8-7-17(18)22/h3-4,6-10,12,14H,5,11,13H2,1-2H3,(H,26,30)
InChIKeySJPGVQVTMMUKNM-UHFFFAOYSA-N
MW419.92 g/mol
LogP4.58
Rot. Bonds6

About 7-chloro-8-methyl-N-[3-(5-methylpyrazol-1-yl)propyl]-2-pyridin-2-ylquinoline-4-carboxamide

7-chloro-8-methyl-N-[3-(5-methylpyrazol-1-yl)propyl]-2-pyridin-2-ylquinoline-4-carboxamide (PubChem CID 2220968) has the molecular formula C23H22ClN5O and a molecular weight of 419.92 g/mol. Its IUPAC name is 7-chloro-8-methyl-N-[3-(5-methylpyrazol-1-yl)propyl]-2-pyridin-2-ylquinoline-4-carboxamide.

Molecular Properties

Compound Name7-chloro-8-methyl-N-[3-(5-methylpyrazol-1-yl)propyl]-2-pyridin-2-ylquinoline-4-carboxamide
PubChem CID2220968
Molecular FormulaC23H22ClN5O
Molecular Weight419.92 g/mol
Exact Mass419.15
IUPAC Name7-chloro-8-methyl-N-[3-(5-methylpyrazol-1-yl)propyl]-2-pyridin-2-ylquinoline-4-carboxamide
SMILESCc1c(Cl)ccc2c(C(=O)NCCCn3nccc3C)cc(-c3ccccn3)nc12
InChIInChI=1S/C23H22ClN5O/c1-15-9-12-27-29(15)13-5-11-26-23(30)18-14-21(20-6-3-4-10-25-20)28-22-16(2)19(24)8-7-17(18)22/h3-4,6-10,12,14H,5,11,13H2,1-2H3,(H,26,30)
InChIKeySJPGVQVTMMUKNM-UHFFFAOYSA-N
XLogP4.58
TPSA72.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500419.92
LogP ≤ 54.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 7-chloro-8-methyl-N-[3-(5-methylpyrazol-1-yl)propyl]-2-pyridin-2-ylquinoline-4-carboxamide?
The IUPAC name of 7-chloro-8-methyl-N-[3-(5-methylpyrazol-1-yl)propyl]-2-pyridin-2-ylquinoline-4-carboxamide (CID 2220968) is 7-chloro-8-methyl-N-[3-(5-methylpyrazol-1-yl)propyl]-2-pyridin-2-ylquinoline-4-carboxamide.
What is the SMILES notation for 7-chloro-8-methyl-N-[3-(5-methylpyrazol-1-yl)propyl]-2-pyridin-2-ylquinoline-4-carboxamide?
The canonical SMILES for 7-chloro-8-methyl-N-[3-(5-methylpyrazol-1-yl)propyl]-2-pyridin-2-ylquinoline-4-carboxamide is Cc1c(Cl)ccc2c(C(=O)NCCCn3nccc3C)cc(-c3ccccn3)nc12.
What is the InChIKey of 7-chloro-8-methyl-N-[3-(5-methylpyrazol-1-yl)propyl]-2-pyridin-2-ylquinoline-4-carboxamide?
The InChIKey is SJPGVQVTMMUKNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22ClN5O/c1-15-9-12-27-29(15)13-5-11-26-23(30)18-14-21(20-6-3-4-10-25-20)28-22-16(2)19(24)8-7-17(18)22/h3-4,6-10,12,14H,5,11,13H2,1-2H3,(H,26,30).
What are the key properties of 7-chloro-8-methyl-N-[3-(5-methylpyrazol-1-yl)propyl]-2-pyridin-2-ylquinoline-4-carboxamide?
7-chloro-8-methyl-N-[3-(5-methylpyrazol-1-yl)propyl]-2-pyridin-2-ylquinoline-4-carboxamide has a molecular weight of 419.92 g/mol, XLogP of 4.58, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-chloro-8-methyl-N-[3-(5-methylpyrazol-1-yl)propyl]-2-pyridin-2-ylquinoline-4-carboxamide is sourced from PubChem (CID 2220968), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).