2-[[methyl-[1-(5-phenylpyrazolidin-3-yl)ethyl]amino]methyl]-4-oxo-1H-quinoline-6-carboxamide

C23H27N5O2 — CID 134080218

IUPAC2-[[methyl-[1-(5-phenylpyrazolidin-3-yl)ethyl]amino]methyl]-4-oxo-1H-quinoline-6-carboxamide
SMILESCC(C1CC(c2ccccc2)NN1)N(C)Cc1cc(=O)c2cc(C(N)=O)ccc2[nH]1
InChIInChI=1S/C23H27N5O2/c1-14(20-12-21(27-26-20)15-6-4-3-5-7-15)28(2)13-17-11-22(29)18-10-16(23(24)30)8-9-19(18)25-17/h3-11,14,20-21,26-27H,12-13H2,1-2H3,(H2,24,30)(H,25,29)
InChIKeyQIYRDVPKXUJHAH-UHFFFAOYSA-N
MW405.50 g/mol
LogP2.06
Rot. Bonds6

About 2-[[methyl-[1-(5-phenylpyrazolidin-3-yl)ethyl]amino]methyl]-4-oxo-1H-quinoline-6-carboxamide

2-[[methyl-[1-(5-phenylpyrazolidin-3-yl)ethyl]amino]methyl]-4-oxo-1H-quinoline-6-carboxamide (PubChem CID 134080218) has the molecular formula C23H27N5O2 and a molecular weight of 405.50 g/mol. Its IUPAC name is 2-[[methyl-[1-(5-phenylpyrazolidin-3-yl)ethyl]amino]methyl]-4-oxo-1H-quinoline-6-carboxamide.

Molecular Properties

Compound Name2-[[methyl-[1-(5-phenylpyrazolidin-3-yl)ethyl]amino]methyl]-4-oxo-1H-quinoline-6-carboxamide
PubChem CID134080218
Molecular FormulaC23H27N5O2
Molecular Weight405.50 g/mol
Exact Mass405.22
IUPAC Name2-[[methyl-[1-(5-phenylpyrazolidin-3-yl)ethyl]amino]methyl]-4-oxo-1H-quinoline-6-carboxamide
SMILESCC(C1CC(c2ccccc2)NN1)N(C)Cc1cc(=O)c2cc(C(N)=O)ccc2[nH]1
InChIInChI=1S/C23H27N5O2/c1-14(20-12-21(27-26-20)15-6-4-3-5-7-15)28(2)13-17-11-22(29)18-10-16(23(24)30)8-9-19(18)25-17/h3-11,14,20-21,26-27H,12-13H2,1-2H3,(H2,24,30)(H,25,29)
InChIKeyQIYRDVPKXUJHAH-UHFFFAOYSA-N
XLogP2.06
TPSA103.25 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.50
LogP ≤ 52.06
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

Analyze 2-[[methyl-[1-(5-phenylpyrazolidin-3-yl)ethyl]amino]methyl]-4-oxo-1H-quinoline-6-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[[methyl-[(2S)-2-morpholin-4-ylpropyl]amino]methyl]-4-oxo-1H-quinoline-6-carboxamide
CID 124906724
4-oxo-2-[[(3S)-3-phenylpiperidin-1-yl]methyl]-1H-quinoline-6-carboxamide
CID 97148081
N-methyl-N-[1-(5-phenylpyrazolidin-3-yl)ethyl]oxane-4-carboxamide
CID 133108407
2-[[(2R)-2-(2-methylphenyl)pyrrolidin-1-yl]methyl]-4-oxo-1H-quinoline-6-carboxamide
CID 97133797
4-oxo-2-[[(2R)-2-pyridin-3-ylpiperidin-1-yl]methyl]-1H-quinoline-6-carboxamide
CID 97153225
4-oxo-2-[(2-pyridin-2-ylpyrrolidin-1-yl)methyl]-1H-quinoline-6-carboxamide
CID 91833737
2-[[(4aS,7aS)-1,2,3,4,4a,5,7,7a-octahydropyrrolo[3,4-b]pyridin-6-yl]methyl]-4-oxo-1H-quinoline-6-carboxamide;dihydrochloride
CID 154925023
N-methyl-3-(2-oxopyrrolidin-1-yl)-N-[1-(5-phenylpyrazolidin-3-yl)ethyl]propanamide
CID 134127928
4-oxo-2-[[(3S)-2-oxospiro[1H-indole-3,3'-piperidine]-1'-yl]methyl]-1H-quinoline-6-carboxamide
CID 97131071
N-benzyl-N-methyl-5-phenylpyrazolidine-3-carboxamide
CID 78419071
methyl (3aS,6aS)-5-[(6-carbamoyl-4-oxo-1H-quinolin-2-yl)methyl]-3,4,6,6a-tetrahydro-1H-furo[3,4-c]pyrrole-3a-carboxylate
CID 163315875
3-[N-[4-[(dimethylamino)methyl]phenyl]-C-phenylcarbonimidoyl]-2-hydroxy-1H-indole-5-carboxamide
CID 135415859

Frequently Asked Questions

What is the IUPAC name of 2-[[methyl-[1-(5-phenylpyrazolidin-3-yl)ethyl]amino]methyl]-4-oxo-1H-quinoline-6-carboxamide?
The IUPAC name of 2-[[methyl-[1-(5-phenylpyrazolidin-3-yl)ethyl]amino]methyl]-4-oxo-1H-quinoline-6-carboxamide (CID 134080218) is 2-[[methyl-[1-(5-phenylpyrazolidin-3-yl)ethyl]amino]methyl]-4-oxo-1H-quinoline-6-carboxamide.
What is the SMILES notation for 2-[[methyl-[1-(5-phenylpyrazolidin-3-yl)ethyl]amino]methyl]-4-oxo-1H-quinoline-6-carboxamide?
The canonical SMILES for 2-[[methyl-[1-(5-phenylpyrazolidin-3-yl)ethyl]amino]methyl]-4-oxo-1H-quinoline-6-carboxamide is CC(C1CC(c2ccccc2)NN1)N(C)Cc1cc(=O)c2cc(C(N)=O)ccc2[nH]1.
What is the InChIKey of 2-[[methyl-[1-(5-phenylpyrazolidin-3-yl)ethyl]amino]methyl]-4-oxo-1H-quinoline-6-carboxamide?
The InChIKey is QIYRDVPKXUJHAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H27N5O2/c1-14(20-12-21(27-26-20)15-6-4-3-5-7-15)28(2)13-17-11-22(29)18-10-16(23(24)30)8-9-19(18)25-17/h3-11,14,20-21,26-27H,12-13H2,1-2H3,(H2,24,30)(H,25,29).
What are the key properties of 2-[[methyl-[1-(5-phenylpyrazolidin-3-yl)ethyl]amino]methyl]-4-oxo-1H-quinoline-6-carboxamide?
2-[[methyl-[1-(5-phenylpyrazolidin-3-yl)ethyl]amino]methyl]-4-oxo-1H-quinoline-6-carboxamide has a molecular weight of 405.50 g/mol, XLogP of 2.06, 6 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[methyl-[1-(5-phenylpyrazolidin-3-yl)ethyl]amino]methyl]-4-oxo-1H-quinoline-6-carboxamide is sourced from PubChem (CID 134080218), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).