N-[2-(2-methoxyphenyl)-2-pyrrolidin-1-ylethyl]-2-oxo-3,4-dihydro-1H-quinoline-6-carboxamide

C23H27N3O3 — CID 86911967

IUPACN-[2-(2-methoxyphenyl)-2-pyrrolidin-1-ylethyl]-2-oxo-3,4-dihydro-1H-quinoline-6-carboxamide
SMILESCOc1ccccc1C(CNC(=O)c1ccc2c(c1)CCC(=O)N2)N1CCCC1
InChIInChI=1S/C23H27N3O3/c1-29-21-7-3-2-6-18(21)20(26-12-4-5-13-26)15-24-23(28)17-8-10-19-16(14-17)9-11-22(27)25-19/h2-3,6-8,10,14,20H,4-5,9,11-13,15H2,1H3,(H,24,28)(H,25,27)
InChIKeyIKBGCPFDBQDXOE-UHFFFAOYSA-N
MW393.49 g/mol
LogP3.15
Rot. Bonds6

About N-[2-(2-methoxyphenyl)-2-pyrrolidin-1-ylethyl]-2-oxo-3,4-dihydro-1H-quinoline-6-carboxamide

N-[2-(2-methoxyphenyl)-2-pyrrolidin-1-ylethyl]-2-oxo-3,4-dihydro-1H-quinoline-6-carboxamide (PubChem CID 86911967) has the molecular formula C23H27N3O3 and a molecular weight of 393.49 g/mol. Its IUPAC name is N-[2-(2-methoxyphenyl)-2-pyrrolidin-1-ylethyl]-2-oxo-3,4-dihydro-1H-quinoline-6-carboxamide.

Molecular Properties

Compound NameN-[2-(2-methoxyphenyl)-2-pyrrolidin-1-ylethyl]-2-oxo-3,4-dihydro-1H-quinoline-6-carboxamide
PubChem CID86911967
Molecular FormulaC23H27N3O3
Molecular Weight393.49 g/mol
Exact Mass393.21
IUPAC NameN-[2-(2-methoxyphenyl)-2-pyrrolidin-1-ylethyl]-2-oxo-3,4-dihydro-1H-quinoline-6-carboxamide
SMILESCOc1ccccc1C(CNC(=O)c1ccc2c(c1)CCC(=O)N2)N1CCCC1
InChIInChI=1S/C23H27N3O3/c1-29-21-7-3-2-6-18(21)20(26-12-4-5-13-26)15-24-23(28)17-8-10-19-16(14-17)9-11-22(27)25-19/h2-3,6-8,10,14,20H,4-5,9,11-13,15H2,1H3,(H,24,28)(H,25,27)
InChIKeyIKBGCPFDBQDXOE-UHFFFAOYSA-N
XLogP3.15
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.49
LogP ≤ 53.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 4-[[2-(2-methoxyphenyl)-2-piperidin-1-ylethyl]carbamoyl]benzoate
CID 60533855
3-methoxy-N-[2-(2-methoxyphenyl)-2-piperidin-1-ylethyl]-4-methylbenzamide
CID 60533969
N-[(2R)-2-(2-methoxyphenyl)-2-pyrrolidin-1-ylethyl]-6-oxo-1H-pyridine-3-carboxamide
CID 95570380
3-fluoro-N-[2-(2-methoxyphenyl)-2-pyrrolidin-1-ylethyl]-4-methylbenzamide
CID 43044899
3-fluoro-N-[2-(2-methoxyphenyl)-2-pyrrolidin-1-ylethyl]benzamide
CID 43006303
3-chloro-N-[2-(2-methoxyphenyl)-2-pyrrolidin-1-ylethyl]benzamide
CID 46422201
N-[(2R)-2-(2-methoxyphenyl)-2-pyrrolidin-1-ylethyl]-4-pyrrolidin-1-ylsulfonylbenzamide
CID 41187538
3-methoxy-N-[2-(2-methoxyphenyl)-2-piperidin-1-ylethyl]-4-prop-2-enoxybenzamide
CID 55950107
N-[(2S)-2-(2-methoxyphenyl)-2-pyrrolidin-1-ylethyl]furan-3-carboxamide
CID 30522983
N-[2-[[(2S)-2-(2-methoxyphenyl)-2-pyrrolidin-1-ylethyl]amino]-2-oxoethyl]benzamide
CID 34937128
4-(difluoromethylsulfonyl)-N-[2-(2-methoxyphenyl)-2-piperidin-1-ylethyl]benzamide
CID 60533875
N-[2-(2-methoxyphenyl)-2-piperidin-1-ylethyl]-4-(propan-2-ylcarbamoylamino)benzamide
CID 55950109

Frequently Asked Questions

What is the IUPAC name of N-[2-(2-methoxyphenyl)-2-pyrrolidin-1-ylethyl]-2-oxo-3,4-dihydro-1H-quinoline-6-carboxamide?
The IUPAC name of N-[2-(2-methoxyphenyl)-2-pyrrolidin-1-ylethyl]-2-oxo-3,4-dihydro-1H-quinoline-6-carboxamide (CID 86911967) is N-[2-(2-methoxyphenyl)-2-pyrrolidin-1-ylethyl]-2-oxo-3,4-dihydro-1H-quinoline-6-carboxamide.
What is the SMILES notation for N-[2-(2-methoxyphenyl)-2-pyrrolidin-1-ylethyl]-2-oxo-3,4-dihydro-1H-quinoline-6-carboxamide?
The canonical SMILES for N-[2-(2-methoxyphenyl)-2-pyrrolidin-1-ylethyl]-2-oxo-3,4-dihydro-1H-quinoline-6-carboxamide is COc1ccccc1C(CNC(=O)c1ccc2c(c1)CCC(=O)N2)N1CCCC1.
What is the InChIKey of N-[2-(2-methoxyphenyl)-2-pyrrolidin-1-ylethyl]-2-oxo-3,4-dihydro-1H-quinoline-6-carboxamide?
The InChIKey is IKBGCPFDBQDXOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H27N3O3/c1-29-21-7-3-2-6-18(21)20(26-12-4-5-13-26)15-24-23(28)17-8-10-19-16(14-17)9-11-22(27)25-19/h2-3,6-8,10,14,20H,4-5,9,11-13,15H2,1H3,(H,24,28)(H,25,27).
What are the key properties of N-[2-(2-methoxyphenyl)-2-pyrrolidin-1-ylethyl]-2-oxo-3,4-dihydro-1H-quinoline-6-carboxamide?
N-[2-(2-methoxyphenyl)-2-pyrrolidin-1-ylethyl]-2-oxo-3,4-dihydro-1H-quinoline-6-carboxamide has a molecular weight of 393.49 g/mol, XLogP of 3.15, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2-methoxyphenyl)-2-pyrrolidin-1-ylethyl]-2-oxo-3,4-dihydro-1H-quinoline-6-carboxamide is sourced from PubChem (CID 86911967), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).