1-methyl-N-[(1-methyl-2-oxoquinolin-3-yl)methyl]-3-(oxolan-3-yl)pyrazole-4-carboxamide

C20H22N4O3 — CID 167848659

IUPAC1-methyl-N-[(1-methyl-2-oxoquinolin-3-yl)methyl]-3-(oxolan-3-yl)pyrazole-4-carboxamide
SMILESCn1cc(C(=O)NCc2cc3ccccc3n(C)c2=O)c(C2CCOC2)n1
InChIInChI=1S/C20H22N4O3/c1-23-11-16(18(22-23)14-7-8-27-12-14)19(25)21-10-15-9-13-5-3-4-6-17(13)24(2)20(15)26/h3-6,9,11,14H,7-8,10,12H2,1-2H3,(H,21,25)
InChIKeyGJLRAVVLHJQRKL-UHFFFAOYSA-N
MW366.42 g/mol
LogP1.71
Rot. Bonds4

About 1-methyl-N-[(1-methyl-2-oxoquinolin-3-yl)methyl]-3-(oxolan-3-yl)pyrazole-4-carboxamide

1-methyl-N-[(1-methyl-2-oxoquinolin-3-yl)methyl]-3-(oxolan-3-yl)pyrazole-4-carboxamide (PubChem CID 167848659) has the molecular formula C20H22N4O3 and a molecular weight of 366.42 g/mol. Its IUPAC name is 1-methyl-N-[(1-methyl-2-oxoquinolin-3-yl)methyl]-3-(oxolan-3-yl)pyrazole-4-carboxamide.

Molecular Properties

Compound Name1-methyl-N-[(1-methyl-2-oxoquinolin-3-yl)methyl]-3-(oxolan-3-yl)pyrazole-4-carboxamide
PubChem CID167848659
Molecular FormulaC20H22N4O3
Molecular Weight366.42 g/mol
Exact Mass366.17
IUPAC Name1-methyl-N-[(1-methyl-2-oxoquinolin-3-yl)methyl]-3-(oxolan-3-yl)pyrazole-4-carboxamide
SMILESCn1cc(C(=O)NCc2cc3ccccc3n(C)c2=O)c(C2CCOC2)n1
InChIInChI=1S/C20H22N4O3/c1-23-11-16(18(22-23)14-7-8-27-12-14)19(25)21-10-15-9-13-5-3-4-6-17(13)24(2)20(15)26/h3-6,9,11,14H,7-8,10,12H2,1-2H3,(H,21,25)
InChIKeyGJLRAVVLHJQRKL-UHFFFAOYSA-N
XLogP1.71
TPSA78.15 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.42
LogP ≤ 51.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-N-[(1-methyl-2-oxoquinolin-3-yl)methyl]-3-(oxolan-3-yl)pyrazole-4-carboxamide?
The IUPAC name of 1-methyl-N-[(1-methyl-2-oxoquinolin-3-yl)methyl]-3-(oxolan-3-yl)pyrazole-4-carboxamide (CID 167848659) is 1-methyl-N-[(1-methyl-2-oxoquinolin-3-yl)methyl]-3-(oxolan-3-yl)pyrazole-4-carboxamide.
What is the SMILES notation for 1-methyl-N-[(1-methyl-2-oxoquinolin-3-yl)methyl]-3-(oxolan-3-yl)pyrazole-4-carboxamide?
The canonical SMILES for 1-methyl-N-[(1-methyl-2-oxoquinolin-3-yl)methyl]-3-(oxolan-3-yl)pyrazole-4-carboxamide is Cn1cc(C(=O)NCc2cc3ccccc3n(C)c2=O)c(C2CCOC2)n1.
What is the InChIKey of 1-methyl-N-[(1-methyl-2-oxoquinolin-3-yl)methyl]-3-(oxolan-3-yl)pyrazole-4-carboxamide?
The InChIKey is GJLRAVVLHJQRKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N4O3/c1-23-11-16(18(22-23)14-7-8-27-12-14)19(25)21-10-15-9-13-5-3-4-6-17(13)24(2)20(15)26/h3-6,9,11,14H,7-8,10,12H2,1-2H3,(H,21,25).
What are the key properties of 1-methyl-N-[(1-methyl-2-oxoquinolin-3-yl)methyl]-3-(oxolan-3-yl)pyrazole-4-carboxamide?
1-methyl-N-[(1-methyl-2-oxoquinolin-3-yl)methyl]-3-(oxolan-3-yl)pyrazole-4-carboxamide has a molecular weight of 366.42 g/mol, XLogP of 1.71, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-N-[(1-methyl-2-oxoquinolin-3-yl)methyl]-3-(oxolan-3-yl)pyrazole-4-carboxamide is sourced from PubChem (CID 167848659), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).