N-(2-oxo-2-pyrrolidin-1-ylethyl)-7-propan-2-ylquinoline-4-carboxamide

C19H23N3O2 — CID 169159704

IUPACN-(2-oxo-2-pyrrolidin-1-ylethyl)-7-propan-2-ylquinoline-4-carboxamide
SMILESCC(C)c1ccc2c(C(=O)NCC(=O)N3CCCC3)ccnc2c1
InChIInChI=1S/C19H23N3O2/c1-13(2)14-5-6-15-16(7-8-20-17(15)11-14)19(24)21-12-18(23)22-9-3-4-10-22/h5-8,11,13H,3-4,9-10,12H2,1-2H3,(H,21,24)
InChIKeyBVDPJNHFGQMRGM-UHFFFAOYSA-N
MW325.41 g/mol
LogP2.71
Rot. Bonds4

About N-(2-oxo-2-pyrrolidin-1-ylethyl)-7-propan-2-ylquinoline-4-carboxamide

N-(2-oxo-2-pyrrolidin-1-ylethyl)-7-propan-2-ylquinoline-4-carboxamide (PubChem CID 169159704) has the molecular formula C19H23N3O2 and a molecular weight of 325.41 g/mol. Its IUPAC name is N-(2-oxo-2-pyrrolidin-1-ylethyl)-7-propan-2-ylquinoline-4-carboxamide.

Molecular Properties

Compound NameN-(2-oxo-2-pyrrolidin-1-ylethyl)-7-propan-2-ylquinoline-4-carboxamide
PubChem CID169159704
Molecular FormulaC19H23N3O2
Molecular Weight325.41 g/mol
Exact Mass325.18
IUPAC NameN-(2-oxo-2-pyrrolidin-1-ylethyl)-7-propan-2-ylquinoline-4-carboxamide
SMILESCC(C)c1ccc2c(C(=O)NCC(=O)N3CCCC3)ccnc2c1
InChIInChI=1S/C19H23N3O2/c1-13(2)14-5-6-15-16(7-8-20-17(15)11-14)19(24)21-12-18(23)22-9-3-4-10-22/h5-8,11,13H,3-4,9-10,12H2,1-2H3,(H,21,24)
InChIKeyBVDPJNHFGQMRGM-UHFFFAOYSA-N
XLogP2.71
TPSA62.30 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.41
LogP ≤ 52.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(2-oxo-2-pyrrolidin-1-ylethyl)-7-propan-2-ylquinoline-4-carboxamide?
The IUPAC name of N-(2-oxo-2-pyrrolidin-1-ylethyl)-7-propan-2-ylquinoline-4-carboxamide (CID 169159704) is N-(2-oxo-2-pyrrolidin-1-ylethyl)-7-propan-2-ylquinoline-4-carboxamide.
What is the SMILES notation for N-(2-oxo-2-pyrrolidin-1-ylethyl)-7-propan-2-ylquinoline-4-carboxamide?
The canonical SMILES for N-(2-oxo-2-pyrrolidin-1-ylethyl)-7-propan-2-ylquinoline-4-carboxamide is CC(C)c1ccc2c(C(=O)NCC(=O)N3CCCC3)ccnc2c1.
What is the InChIKey of N-(2-oxo-2-pyrrolidin-1-ylethyl)-7-propan-2-ylquinoline-4-carboxamide?
The InChIKey is BVDPJNHFGQMRGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N3O2/c1-13(2)14-5-6-15-16(7-8-20-17(15)11-14)19(24)21-12-18(23)22-9-3-4-10-22/h5-8,11,13H,3-4,9-10,12H2,1-2H3,(H,21,24).
What are the key properties of N-(2-oxo-2-pyrrolidin-1-ylethyl)-7-propan-2-ylquinoline-4-carboxamide?
N-(2-oxo-2-pyrrolidin-1-ylethyl)-7-propan-2-ylquinoline-4-carboxamide has a molecular weight of 325.41 g/mol, XLogP of 2.71, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-oxo-2-pyrrolidin-1-ylethyl)-7-propan-2-ylquinoline-4-carboxamide is sourced from PubChem (CID 169159704), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).