1-methyl-2-oxo-N-[3-(pyrrolidin-1-ylmethyl)phenyl]quinoline-4-carboxamide

C22H23N3O2 — CID 131902181

IUPAC1-methyl-2-oxo-N-[3-(pyrrolidin-1-ylmethyl)phenyl]quinoline-4-carboxamide
SMILESCn1c(=O)cc(C(=O)Nc2cccc(CN3CCCC3)c2)c2ccccc21
InChIInChI=1S/C22H23N3O2/c1-24-20-10-3-2-9-18(20)19(14-21(24)26)22(27)23-17-8-6-7-16(13-17)15-25-11-4-5-12-25/h2-3,6-10,13-14H,4-5,11-12,15H2,1H3,(H,23,27)
InChIKeyHPMZTESYBXSODP-UHFFFAOYSA-N
MW361.45 g/mol
LogP3.39
Rot. Bonds4

About 1-methyl-2-oxo-N-[3-(pyrrolidin-1-ylmethyl)phenyl]quinoline-4-carboxamide

1-methyl-2-oxo-N-[3-(pyrrolidin-1-ylmethyl)phenyl]quinoline-4-carboxamide (PubChem CID 131902181) has the molecular formula C22H23N3O2 and a molecular weight of 361.45 g/mol. Its IUPAC name is 1-methyl-2-oxo-N-[3-(pyrrolidin-1-ylmethyl)phenyl]quinoline-4-carboxamide.

Molecular Properties

Compound Name1-methyl-2-oxo-N-[3-(pyrrolidin-1-ylmethyl)phenyl]quinoline-4-carboxamide
PubChem CID131902181
Molecular FormulaC22H23N3O2
Molecular Weight361.45 g/mol
Exact Mass361.18
IUPAC Name1-methyl-2-oxo-N-[3-(pyrrolidin-1-ylmethyl)phenyl]quinoline-4-carboxamide
SMILESCn1c(=O)cc(C(=O)Nc2cccc(CN3CCCC3)c2)c2ccccc21
InChIInChI=1S/C22H23N3O2/c1-24-20-10-3-2-9-18(20)19(14-21(24)26)22(27)23-17-8-6-7-16(13-17)15-25-11-4-5-12-25/h2-3,6-10,13-14H,4-5,11-12,15H2,1H3,(H,23,27)
InChIKeyHPMZTESYBXSODP-UHFFFAOYSA-N
XLogP3.39
TPSA54.34 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.45
LogP ≤ 53.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-2-oxo-N-[3-(pyrrolidin-1-ylmethyl)phenyl]quinoline-4-carboxamide?
The IUPAC name of 1-methyl-2-oxo-N-[3-(pyrrolidin-1-ylmethyl)phenyl]quinoline-4-carboxamide (CID 131902181) is 1-methyl-2-oxo-N-[3-(pyrrolidin-1-ylmethyl)phenyl]quinoline-4-carboxamide.
What is the SMILES notation for 1-methyl-2-oxo-N-[3-(pyrrolidin-1-ylmethyl)phenyl]quinoline-4-carboxamide?
The canonical SMILES for 1-methyl-2-oxo-N-[3-(pyrrolidin-1-ylmethyl)phenyl]quinoline-4-carboxamide is Cn1c(=O)cc(C(=O)Nc2cccc(CN3CCCC3)c2)c2ccccc21.
What is the InChIKey of 1-methyl-2-oxo-N-[3-(pyrrolidin-1-ylmethyl)phenyl]quinoline-4-carboxamide?
The InChIKey is HPMZTESYBXSODP-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23N3O2/c1-24-20-10-3-2-9-18(20)19(14-21(24)26)22(27)23-17-8-6-7-16(13-17)15-25-11-4-5-12-25/h2-3,6-10,13-14H,4-5,11-12,15H2,1H3,(H,23,27).
What are the key properties of 1-methyl-2-oxo-N-[3-(pyrrolidin-1-ylmethyl)phenyl]quinoline-4-carboxamide?
1-methyl-2-oxo-N-[3-(pyrrolidin-1-ylmethyl)phenyl]quinoline-4-carboxamide has a molecular weight of 361.45 g/mol, XLogP of 3.39, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-2-oxo-N-[3-(pyrrolidin-1-ylmethyl)phenyl]quinoline-4-carboxamide is sourced from PubChem (CID 131902181), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).