7-methoxy-N-methyl-2-(1-methylpyrazol-4-yl)-N-(2-pyridin-2-ylethyl)quinoline-4-carboxamide

C23H23N5O2 — CID 46998816

IUPAC7-methoxy-N-methyl-2-(1-methylpyrazol-4-yl)-N-(2-pyridin-2-ylethyl)quinoline-4-carboxamide
SMILESCOc1ccc2c(C(=O)N(C)CCc3ccccn3)cc(-c3cnn(C)c3)nc2c1
InChIInChI=1S/C23H23N5O2/c1-27(11-9-17-6-4-5-10-24-17)23(29)20-13-21(16-14-25-28(2)15-16)26-22-12-18(30-3)7-8-19(20)22/h4-8,10,12-15H,9,11H2,1-3H3
InChIKeyICAXSQSQMHUPKP-UHFFFAOYSA-N
MW401.47 g/mol
LogP3.35
Rot. Bonds6

About 7-methoxy-N-methyl-2-(1-methylpyrazol-4-yl)-N-(2-pyridin-2-ylethyl)quinoline-4-carboxamide

7-methoxy-N-methyl-2-(1-methylpyrazol-4-yl)-N-(2-pyridin-2-ylethyl)quinoline-4-carboxamide (PubChem CID 46998816) has the molecular formula C23H23N5O2 and a molecular weight of 401.47 g/mol. Its IUPAC name is 7-methoxy-N-methyl-2-(1-methylpyrazol-4-yl)-N-(2-pyridin-2-ylethyl)quinoline-4-carboxamide.

Molecular Properties

Compound Name7-methoxy-N-methyl-2-(1-methylpyrazol-4-yl)-N-(2-pyridin-2-ylethyl)quinoline-4-carboxamide
PubChem CID46998816
Molecular FormulaC23H23N5O2
Molecular Weight401.47 g/mol
Exact Mass401.19
IUPAC Name7-methoxy-N-methyl-2-(1-methylpyrazol-4-yl)-N-(2-pyridin-2-ylethyl)quinoline-4-carboxamide
SMILESCOc1ccc2c(C(=O)N(C)CCc3ccccn3)cc(-c3cnn(C)c3)nc2c1
InChIInChI=1S/C23H23N5O2/c1-27(11-9-17-6-4-5-10-24-17)23(29)20-13-21(16-14-25-28(2)15-16)26-22-12-18(30-3)7-8-19(20)22/h4-8,10,12-15H,9,11H2,1-3H3
InChIKeyICAXSQSQMHUPKP-UHFFFAOYSA-N
XLogP3.35
TPSA73.14 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500401.47
LogP ≤ 53.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

7-methoxy-N,N-dimethyl-2-(1-methylpyrazol-4-yl)quinoline-4-carboxamide
CID 46982682
2-amino-5-methoxy-N-methyl-N-(2-pyridin-2-ylethyl)benzamide
CID 60955120
1-(aminomethyl)-6,8-dimethoxy-N-methyl-N-(2-pyridin-2-ylethyl)isoquinoline-4-carboxamide
CID 46846938
N-(2-methoxyethyl)-2-(1-methylpyrazol-4-yl)quinoline-4-carboxamide
CID 19518443
2-(1-methylpyrazol-4-yl)quinoline-4-carboxylate
CID 7017781
N-methyl-N-(1,2-oxazol-3-ylmethyl)-2-(1-pyridin-2-ylpyrazol-4-yl)quinoline-4-carboxamide
CID 46984469
[7-methoxy-2-(1-propylpyrazol-4-yl)quinolin-4-yl]-(2-methylpyrrolidin-1-yl)methanone
CID 45209543
2-(2,4-dimethoxyphenyl)-N-(2-pyridin-2-ylethyl)quinoline-4-carboxamide
CID 42749556
4-ethoxy-N-methyl-N-(2-pyridin-2-ylethyl)benzamide
CID 56809954
2-(1-methylpyrazol-4-yl)-N-[(1-methylpyrazol-4-yl)methyl]quinoline-4-carboxamide
CID 19513012
2-(1-methylpyrazol-4-yl)-N-propylquinoline-4-carboxamide
CID 19513031
2-hydroxy-4-methoxy-N-methyl-N-(pyridin-2-ylmethyl)benzamide
CID 43565722

Frequently Asked Questions

What is the IUPAC name of 7-methoxy-N-methyl-2-(1-methylpyrazol-4-yl)-N-(2-pyridin-2-ylethyl)quinoline-4-carboxamide?
The IUPAC name of 7-methoxy-N-methyl-2-(1-methylpyrazol-4-yl)-N-(2-pyridin-2-ylethyl)quinoline-4-carboxamide (CID 46998816) is 7-methoxy-N-methyl-2-(1-methylpyrazol-4-yl)-N-(2-pyridin-2-ylethyl)quinoline-4-carboxamide.
What is the SMILES notation for 7-methoxy-N-methyl-2-(1-methylpyrazol-4-yl)-N-(2-pyridin-2-ylethyl)quinoline-4-carboxamide?
The canonical SMILES for 7-methoxy-N-methyl-2-(1-methylpyrazol-4-yl)-N-(2-pyridin-2-ylethyl)quinoline-4-carboxamide is COc1ccc2c(C(=O)N(C)CCc3ccccn3)cc(-c3cnn(C)c3)nc2c1.
What is the InChIKey of 7-methoxy-N-methyl-2-(1-methylpyrazol-4-yl)-N-(2-pyridin-2-ylethyl)quinoline-4-carboxamide?
The InChIKey is ICAXSQSQMHUPKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23N5O2/c1-27(11-9-17-6-4-5-10-24-17)23(29)20-13-21(16-14-25-28(2)15-16)26-22-12-18(30-3)7-8-19(20)22/h4-8,10,12-15H,9,11H2,1-3H3.
What are the key properties of 7-methoxy-N-methyl-2-(1-methylpyrazol-4-yl)-N-(2-pyridin-2-ylethyl)quinoline-4-carboxamide?
7-methoxy-N-methyl-2-(1-methylpyrazol-4-yl)-N-(2-pyridin-2-ylethyl)quinoline-4-carboxamide has a molecular weight of 401.47 g/mol, XLogP of 3.35, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 7-methoxy-N-methyl-2-(1-methylpyrazol-4-yl)-N-(2-pyridin-2-ylethyl)quinoline-4-carboxamide is sourced from PubChem (CID 46998816), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).