N-(1,5-dimethyl-3-pyrrolidin-1-ylpyrazol-4-yl)-1-methyl-2-oxoquinoline-3-carboxamide

C20H23N5O2 — CID 134702251

IUPACN-(1,5-dimethyl-3-pyrrolidin-1-ylpyrazol-4-yl)-1-methyl-2-oxoquinoline-3-carboxamide
SMILESCc1c(NC(=O)c2cc3ccccc3n(C)c2=O)c(N2CCCC2)nn1C
InChIInChI=1S/C20H23N5O2/c1-13-17(18(22-24(13)3)25-10-6-7-11-25)21-19(26)15-12-14-8-4-5-9-16(14)23(2)20(15)27/h4-5,8-9,12H,6-7,10-11H2,1-3H3,(H,21,26)
InChIKeyAKYQQJHXPKORSI-UHFFFAOYSA-N
MW365.44 g/mol
LogP2.43
Rot. Bonds3

About N-(1,5-dimethyl-3-pyrrolidin-1-ylpyrazol-4-yl)-1-methyl-2-oxoquinoline-3-carboxamide

N-(1,5-dimethyl-3-pyrrolidin-1-ylpyrazol-4-yl)-1-methyl-2-oxoquinoline-3-carboxamide (PubChem CID 134702251) has the molecular formula C20H23N5O2 and a molecular weight of 365.44 g/mol. Its IUPAC name is N-(1,5-dimethyl-3-pyrrolidin-1-ylpyrazol-4-yl)-1-methyl-2-oxoquinoline-3-carboxamide.

Molecular Properties

Compound NameN-(1,5-dimethyl-3-pyrrolidin-1-ylpyrazol-4-yl)-1-methyl-2-oxoquinoline-3-carboxamide
PubChem CID134702251
Molecular FormulaC20H23N5O2
Molecular Weight365.44 g/mol
Exact Mass365.19
IUPAC NameN-(1,5-dimethyl-3-pyrrolidin-1-ylpyrazol-4-yl)-1-methyl-2-oxoquinoline-3-carboxamide
SMILESCc1c(NC(=O)c2cc3ccccc3n(C)c2=O)c(N2CCCC2)nn1C
InChIInChI=1S/C20H23N5O2/c1-13-17(18(22-24(13)3)25-10-6-7-11-25)21-19(26)15-12-14-8-4-5-9-16(14)23(2)20(15)27/h4-5,8-9,12H,6-7,10-11H2,1-3H3,(H,21,26)
InChIKeyAKYQQJHXPKORSI-UHFFFAOYSA-N
XLogP2.43
TPSA72.16 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.44
LogP ≤ 52.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-(1,5-dimethyl-3-pyrrolidin-1-ylpyrazol-4-yl)-1-methyl-2-oxoquinoline-3-carboxamide?
The IUPAC name of N-(1,5-dimethyl-3-pyrrolidin-1-ylpyrazol-4-yl)-1-methyl-2-oxoquinoline-3-carboxamide (CID 134702251) is N-(1,5-dimethyl-3-pyrrolidin-1-ylpyrazol-4-yl)-1-methyl-2-oxoquinoline-3-carboxamide.
What is the SMILES notation for N-(1,5-dimethyl-3-pyrrolidin-1-ylpyrazol-4-yl)-1-methyl-2-oxoquinoline-3-carboxamide?
The canonical SMILES for N-(1,5-dimethyl-3-pyrrolidin-1-ylpyrazol-4-yl)-1-methyl-2-oxoquinoline-3-carboxamide is Cc1c(NC(=O)c2cc3ccccc3n(C)c2=O)c(N2CCCC2)nn1C.
What is the InChIKey of N-(1,5-dimethyl-3-pyrrolidin-1-ylpyrazol-4-yl)-1-methyl-2-oxoquinoline-3-carboxamide?
The InChIKey is AKYQQJHXPKORSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23N5O2/c1-13-17(18(22-24(13)3)25-10-6-7-11-25)21-19(26)15-12-14-8-4-5-9-16(14)23(2)20(15)27/h4-5,8-9,12H,6-7,10-11H2,1-3H3,(H,21,26).
What are the key properties of N-(1,5-dimethyl-3-pyrrolidin-1-ylpyrazol-4-yl)-1-methyl-2-oxoquinoline-3-carboxamide?
N-(1,5-dimethyl-3-pyrrolidin-1-ylpyrazol-4-yl)-1-methyl-2-oxoquinoline-3-carboxamide has a molecular weight of 365.44 g/mol, XLogP of 2.43, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,5-dimethyl-3-pyrrolidin-1-ylpyrazol-4-yl)-1-methyl-2-oxoquinoline-3-carboxamide is sourced from PubChem (CID 134702251), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).