1-methyl-2-oxo-N-[2-(3-phenylpyrrolidin-1-yl)ethyl]-5,6,7,8-tetrahydroquinoline-3-carboxamide

C23H29N3O2 — CID 74245133

IUPAC1-methyl-2-oxo-N-[2-(3-phenylpyrrolidin-1-yl)ethyl]-5,6,7,8-tetrahydroquinoline-3-carboxamide
SMILESCn1c2c(cc(C(=O)NCCN3CCC(c4ccccc4)C3)c1=O)CCCC2
InChIInChI=1S/C23H29N3O2/c1-25-21-10-6-5-9-18(21)15-20(23(25)28)22(27)24-12-14-26-13-11-19(16-26)17-7-3-2-4-8-17/h2-4,7-8,15,19H,5-6,9-14,16H2,1H3,(H,24,27)
InChIKeyFIZKLZNBAJKLSV-UHFFFAOYSA-N
MW379.50 g/mol
LogP2.48
Rot. Bonds5

About 1-methyl-2-oxo-N-[2-(3-phenylpyrrolidin-1-yl)ethyl]-5,6,7,8-tetrahydroquinoline-3-carboxamide

1-methyl-2-oxo-N-[2-(3-phenylpyrrolidin-1-yl)ethyl]-5,6,7,8-tetrahydroquinoline-3-carboxamide (PubChem CID 74245133) has the molecular formula C23H29N3O2 and a molecular weight of 379.50 g/mol. Its IUPAC name is 1-methyl-2-oxo-N-[2-(3-phenylpyrrolidin-1-yl)ethyl]-5,6,7,8-tetrahydroquinoline-3-carboxamide.

Molecular Properties

Compound Name1-methyl-2-oxo-N-[2-(3-phenylpyrrolidin-1-yl)ethyl]-5,6,7,8-tetrahydroquinoline-3-carboxamide
PubChem CID74245133
Molecular FormulaC23H29N3O2
Molecular Weight379.50 g/mol
Exact Mass379.23
IUPAC Name1-methyl-2-oxo-N-[2-(3-phenylpyrrolidin-1-yl)ethyl]-5,6,7,8-tetrahydroquinoline-3-carboxamide
SMILESCn1c2c(cc(C(=O)NCCN3CCC(c4ccccc4)C3)c1=O)CCCC2
InChIInChI=1S/C23H29N3O2/c1-25-21-10-6-5-9-18(21)15-20(23(25)28)22(27)24-12-14-26-13-11-19(16-26)17-7-3-2-4-8-17/h2-4,7-8,15,19H,5-6,9-14,16H2,1H3,(H,24,27)
InChIKeyFIZKLZNBAJKLSV-UHFFFAOYSA-N
XLogP2.48
TPSA54.34 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.50
LogP ≤ 52.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 1-methyl-2-oxo-N-[2-(3-phenylpyrrolidin-1-yl)ethyl]-5,6,7,8-tetrahydroquinoline-3-carboxamide with MolForge

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Related Compounds

1-methyl-2-oxo-N-(2-phenylethyl)-5,6,7,8,9,10-hexahydrocycloocta[b]pyridine-3-carboxamide
CID 142275684
1-methyl-6-oxo-N-[2-(3-phenylpyrrolidin-1-yl)ethyl]pyridine-3-carboxamide
CID 74246029
2-oxo-N-[2-[(3R)-3-phenylpiperidin-1-yl]ethyl]-1H-quinoline-4-carboxamide
CID 97445389
2,6-dimethyl-N-[2-(3-phenylpiperidin-1-yl)ethyl]pyridine-4-carboxamide
CID 77085424
1-butyl-2-oxo-N-(2-phenylethyl)-5,6,7,8-tetrahydroquinoline-3-carboxamide
CID 23587792
1,4-dimethyl-N-[2-[(3S)-3-phenylpiperidin-1-yl]ethyl]indole-2-carboxamide
CID 99945532
1,4-dimethyl-N-[2-(3-phenylpiperidin-1-yl)ethyl]indole-2-carboxamide
CID 77092346
3-methoxy-5-methyl-N-[2-[(3S)-3-phenylpyrrolidin-1-yl]ethyl]thiophene-2-carboxamide
CID 99949552
2-methylsulfonyl-N-[2-[(3R)-3-phenylpiperidin-1-yl]ethyl]acetamide
CID 95230194
4-[2-(4-phenylpiperidin-1-yl)ethylcarbamoyl]benzoic acid
CID 74239784
N-[2-(3-phenylpiperidin-1-yl)ethyl]-4,5,6,7-tetrahydro-1H-indazole-3-carboxamide
CID 72921846
2-cyclopropyl-N-[2-(3-phenylpiperidin-1-yl)ethyl]pyrimidine-5-carboxamide
CID 131915442

Frequently Asked Questions

What is the IUPAC name of 1-methyl-2-oxo-N-[2-(3-phenylpyrrolidin-1-yl)ethyl]-5,6,7,8-tetrahydroquinoline-3-carboxamide?
The IUPAC name of 1-methyl-2-oxo-N-[2-(3-phenylpyrrolidin-1-yl)ethyl]-5,6,7,8-tetrahydroquinoline-3-carboxamide (CID 74245133) is 1-methyl-2-oxo-N-[2-(3-phenylpyrrolidin-1-yl)ethyl]-5,6,7,8-tetrahydroquinoline-3-carboxamide.
What is the SMILES notation for 1-methyl-2-oxo-N-[2-(3-phenylpyrrolidin-1-yl)ethyl]-5,6,7,8-tetrahydroquinoline-3-carboxamide?
The canonical SMILES for 1-methyl-2-oxo-N-[2-(3-phenylpyrrolidin-1-yl)ethyl]-5,6,7,8-tetrahydroquinoline-3-carboxamide is Cn1c2c(cc(C(=O)NCCN3CCC(c4ccccc4)C3)c1=O)CCCC2.
What is the InChIKey of 1-methyl-2-oxo-N-[2-(3-phenylpyrrolidin-1-yl)ethyl]-5,6,7,8-tetrahydroquinoline-3-carboxamide?
The InChIKey is FIZKLZNBAJKLSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H29N3O2/c1-25-21-10-6-5-9-18(21)15-20(23(25)28)22(27)24-12-14-26-13-11-19(16-26)17-7-3-2-4-8-17/h2-4,7-8,15,19H,5-6,9-14,16H2,1H3,(H,24,27).
What are the key properties of 1-methyl-2-oxo-N-[2-(3-phenylpyrrolidin-1-yl)ethyl]-5,6,7,8-tetrahydroquinoline-3-carboxamide?
1-methyl-2-oxo-N-[2-(3-phenylpyrrolidin-1-yl)ethyl]-5,6,7,8-tetrahydroquinoline-3-carboxamide has a molecular weight of 379.50 g/mol, XLogP of 2.48, 5 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-[2-(3-phenylpyrrolidin-1-yl)ethyl]-5,6,7,8-tetrahydroquinoline-3-carboxamide is sourced from PubChem (CID 74245133), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).