3-[[(4R)-2-(1H-imidazol-2-yl)-4-methoxypyrrolidin-1-yl]methyl]-1H-quinolin-2-one

C18H20N4O2 — CID 154765192

IUPAC3-[[(4R)-2-(1H-imidazol-2-yl)-4-methoxypyrrolidin-1-yl]methyl]-1H-quinolin-2-one
SMILESCO[C@@H]1CC(c2ncc[nH]2)N(Cc2cc3ccccc3[nH]c2=O)C1
InChIInChI=1S/C18H20N4O2/c1-24-14-9-16(17-19-6-7-20-17)22(11-14)10-13-8-12-4-2-3-5-15(12)21-18(13)23/h2-8,14,16H,9-11H2,1H3,(H,19,20)(H,21,23)/t14-,16?/m1/s1
InChIKeyOGHXQKNDBXNISS-IURRXHLWSA-N
MW324.38 g/mol
LogP2.21
Rot. Bonds4

About 3-[[(4R)-2-(1H-imidazol-2-yl)-4-methoxypyrrolidin-1-yl]methyl]-1H-quinolin-2-one

3-[[(4R)-2-(1H-imidazol-2-yl)-4-methoxypyrrolidin-1-yl]methyl]-1H-quinolin-2-one (PubChem CID 154765192) has the molecular formula C18H20N4O2 and a molecular weight of 324.38 g/mol. Its IUPAC name is 3-[[(4R)-2-(1H-imidazol-2-yl)-4-methoxypyrrolidin-1-yl]methyl]-1H-quinolin-2-one.

Molecular Properties

Compound Name3-[[(4R)-2-(1H-imidazol-2-yl)-4-methoxypyrrolidin-1-yl]methyl]-1H-quinolin-2-one
PubChem CID154765192
Molecular FormulaC18H20N4O2
Molecular Weight324.38 g/mol
Exact Mass324.16
IUPAC Name3-[[(4R)-2-(1H-imidazol-2-yl)-4-methoxypyrrolidin-1-yl]methyl]-1H-quinolin-2-one
SMILESCO[C@@H]1CC(c2ncc[nH]2)N(Cc2cc3ccccc3[nH]c2=O)C1
InChIInChI=1S/C18H20N4O2/c1-24-14-9-16(17-19-6-7-20-17)22(11-14)10-13-8-12-4-2-3-5-15(12)21-18(13)23/h2-8,14,16H,9-11H2,1H3,(H,19,20)(H,21,23)/t14-,16?/m1/s1
InChIKeyOGHXQKNDBXNISS-IURRXHLWSA-N
XLogP2.21
TPSA74.01 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.38
LogP ≤ 52.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 3-[[(4R)-2-(1H-imidazol-2-yl)-4-methoxypyrrolidin-1-yl]methyl]-1H-quinolin-2-one 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

6-[[(4R)-2-(1H-imidazol-2-yl)-4-methoxypyrrolidin-1-yl]methyl]-8-methylquinoline
CID 167921637
5-[[2-(1H-imidazol-2-yl)-4-methoxypyrrolidin-1-yl]methyl]-1-methyl-3-phenylpyrazole
CID 154870278
5-chloro-2-[[(4R)-2-(1H-imidazol-2-yl)-4-methoxypyrrolidin-1-yl]methyl]benzonitrile
CID 154765197
2-[(4R)-1-[[3-(ethoxymethyl)-4-methoxyphenyl]methyl]-4-methoxypyrrolidin-2-yl]-1H-imidazole
CID 154765204
5-[(2S,4R)-4-methoxy-1-(naphthalen-1-ylmethyl)pyrrolidin-2-yl]-1H-1,2,4-triazole
CID 128979976
3-[[[(2S,4S)-4-methoxy-1-methylpyrrolidin-2-yl]methyl-methylamino]methyl]-1H-quinolin-2-one
CID 128981506
3-[(1H-imidazol-2-ylmethylamino)methyl]-1H-quinolin-2-one
CID 64547030
3-[[2-(4,5,6,7-tetrahydro-1H-benzimidazol-2-yl)pyrrolidin-1-yl]methyl]-1H-quinolin-2-one
CID 128967624
3-[[(2S)-2-(4,5,6,7-tetrahydro-1H-benzimidazol-2-yl)pyrrolidin-1-yl]methyl]-1H-quinolin-2-one
CID 129473497
3-[[2-[2-(2-oxopyrrolidin-1-yl)ethyl]piperidin-1-yl]methyl]-1H-quinolin-2-one
CID 56718060
3-[[(3R)-3-[[(6-methyl-2-pyridinyl)amino]methyl]pyrrolidin-1-yl]methyl]-1H-quinolin-2-one
CID 124556492
3-[[3-(1-hydroxyethyl)pyrrolidin-1-yl]methyl]-1H-quinolin-2-one
CID 110019820

Frequently Asked Questions

What is the IUPAC name of 3-[[(4R)-2-(1H-imidazol-2-yl)-4-methoxypyrrolidin-1-yl]methyl]-1H-quinolin-2-one?
The IUPAC name of 3-[[(4R)-2-(1H-imidazol-2-yl)-4-methoxypyrrolidin-1-yl]methyl]-1H-quinolin-2-one (CID 154765192) is 3-[[(4R)-2-(1H-imidazol-2-yl)-4-methoxypyrrolidin-1-yl]methyl]-1H-quinolin-2-one.
What is the SMILES notation for 3-[[(4R)-2-(1H-imidazol-2-yl)-4-methoxypyrrolidin-1-yl]methyl]-1H-quinolin-2-one?
The canonical SMILES for 3-[[(4R)-2-(1H-imidazol-2-yl)-4-methoxypyrrolidin-1-yl]methyl]-1H-quinolin-2-one is CO[C@@H]1CC(c2ncc[nH]2)N(Cc2cc3ccccc3[nH]c2=O)C1.
What is the InChIKey of 3-[[(4R)-2-(1H-imidazol-2-yl)-4-methoxypyrrolidin-1-yl]methyl]-1H-quinolin-2-one?
The InChIKey is OGHXQKNDBXNISS-IURRXHLWSA-N. The full InChI is InChI=1S/C18H20N4O2/c1-24-14-9-16(17-19-6-7-20-17)22(11-14)10-13-8-12-4-2-3-5-15(12)21-18(13)23/h2-8,14,16H,9-11H2,1H3,(H,19,20)(H,21,23)/t14-,16?/m1/s1.
What are the key properties of 3-[[(4R)-2-(1H-imidazol-2-yl)-4-methoxypyrrolidin-1-yl]methyl]-1H-quinolin-2-one?
3-[[(4R)-2-(1H-imidazol-2-yl)-4-methoxypyrrolidin-1-yl]methyl]-1H-quinolin-2-one has a molecular weight of 324.38 g/mol, XLogP of 2.21, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[(4R)-2-(1H-imidazol-2-yl)-4-methoxypyrrolidin-1-yl]methyl]-1H-quinolin-2-one is sourced from PubChem (CID 154765192), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).