1-[4-[(2-oxopyrrolidin-1-yl)methyl]phenyl]-3-(2-quinolin-8-ylethyl)urea

C23H24N4O2 — CID 78886962

IUPAC1-[4-[(2-oxopyrrolidin-1-yl)methyl]phenyl]-3-(2-quinolin-8-ylethyl)urea
SMILESO=C(NCCc1cccc2cccnc12)Nc1ccc(CN2CCCC2=O)cc1
InChIInChI=1S/C23H24N4O2/c28-21-7-3-15-27(21)16-17-8-10-20(11-9-17)26-23(29)25-14-12-19-5-1-4-18-6-2-13-24-22(18)19/h1-2,4-6,8-11,13H,3,7,12,14-16H2,(H2,25,26,29)
InChIKeyUGZNTDJNXWBQNX-UHFFFAOYSA-N
MW388.47 g/mol
LogP3.72
Rot. Bonds6

About 1-[4-[(2-oxopyrrolidin-1-yl)methyl]phenyl]-3-(2-quinolin-8-ylethyl)urea

1-[4-[(2-oxopyrrolidin-1-yl)methyl]phenyl]-3-(2-quinolin-8-ylethyl)urea (PubChem CID 78886962) has the molecular formula C23H24N4O2 and a molecular weight of 388.47 g/mol. Its IUPAC name is 1-[4-[(2-oxopyrrolidin-1-yl)methyl]phenyl]-3-(2-quinolin-8-ylethyl)urea.

Molecular Properties

Compound Name1-[4-[(2-oxopyrrolidin-1-yl)methyl]phenyl]-3-(2-quinolin-8-ylethyl)urea
PubChem CID78886962
Molecular FormulaC23H24N4O2
Molecular Weight388.47 g/mol
Exact Mass388.19
IUPAC Name1-[4-[(2-oxopyrrolidin-1-yl)methyl]phenyl]-3-(2-quinolin-8-ylethyl)urea
SMILESO=C(NCCc1cccc2cccnc12)Nc1ccc(CN2CCCC2=O)cc1
InChIInChI=1S/C23H24N4O2/c28-21-7-3-15-27(21)16-17-8-10-20(11-9-17)26-23(29)25-14-12-19-5-1-4-18-6-2-13-24-22(18)19/h1-2,4-6,8-11,13H,3,7,12,14-16H2,(H2,25,26,29)
InChIKeyUGZNTDJNXWBQNX-UHFFFAOYSA-N
XLogP3.72
TPSA74.33 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.47
LogP ≤ 53.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 1-[4-[(2-oxopyrrolidin-1-yl)methyl]phenyl]-3-(2-quinolin-8-ylethyl)urea with MolForge

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Related Compounds

1-(2-quinolin-8-ylethyl)-3-spiro[1,3-benzodioxole-2,1'-cyclopentane]-5-ylurea
CID 47032864
1-(2,2-difluoro-1,3-benzodioxol-5-yl)-3-(2-quinolin-8-ylethyl)urea
CID 51115287
1-[[3-[(2-methylimidazol-1-yl)methyl]phenyl]methyl]-3-[4-[(2-oxopyrrolidin-1-yl)methyl]phenyl]urea
CID 78890661
2-naphthalen-2-yl-N-(2-quinolin-8-ylethyl)acetamide
CID 51112165
1-[4-(cyclopropylmethoxy)phenyl]-3-[[4-[(2-oxopyrrolidin-1-yl)methyl]phenyl]methyl]urea
CID 75463967
1-amino-N-(2-quinolin-8-ylethyl)cyclopentane-1-carboxamide;dihydrochloride
CID 119840573
3-chloro-N-(2-quinolin-8-ylethyl)propanamide
CID 81427870
3-(2-aminophenyl)-N-[4-[(2-oxopyrrolidin-1-yl)methyl]phenyl]propanamide
CID 120608825
N-[[3-[(2-oxopyrrolidin-1-yl)methyl]phenyl]methyl]benzo[f]quinoline-5-carboxamide
CID 78884282
N-(2-quinolin-8-ylethyl)cyclohexanecarboxamide
CID 18149258
3-chloro-2,2-dimethyl-N-(2-quinolin-8-ylethyl)propanamide
CID 81426799
2-[2-oxo-2-(2-quinolin-8-ylethylamino)ethoxy]-N-(2-quinolin-8-ylethyl)acetamide
CID 78847250

Frequently Asked Questions

What is the IUPAC name of 1-[4-[(2-oxopyrrolidin-1-yl)methyl]phenyl]-3-(2-quinolin-8-ylethyl)urea?
The IUPAC name of 1-[4-[(2-oxopyrrolidin-1-yl)methyl]phenyl]-3-(2-quinolin-8-ylethyl)urea (CID 78886962) is 1-[4-[(2-oxopyrrolidin-1-yl)methyl]phenyl]-3-(2-quinolin-8-ylethyl)urea.
What is the SMILES notation for 1-[4-[(2-oxopyrrolidin-1-yl)methyl]phenyl]-3-(2-quinolin-8-ylethyl)urea?
The canonical SMILES for 1-[4-[(2-oxopyrrolidin-1-yl)methyl]phenyl]-3-(2-quinolin-8-ylethyl)urea is O=C(NCCc1cccc2cccnc12)Nc1ccc(CN2CCCC2=O)cc1.
What is the InChIKey of 1-[4-[(2-oxopyrrolidin-1-yl)methyl]phenyl]-3-(2-quinolin-8-ylethyl)urea?
The InChIKey is UGZNTDJNXWBQNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24N4O2/c28-21-7-3-15-27(21)16-17-8-10-20(11-9-17)26-23(29)25-14-12-19-5-1-4-18-6-2-13-24-22(18)19/h1-2,4-6,8-11,13H,3,7,12,14-16H2,(H2,25,26,29).
What are the key properties of 1-[4-[(2-oxopyrrolidin-1-yl)methyl]phenyl]-3-(2-quinolin-8-ylethyl)urea?
1-[4-[(2-oxopyrrolidin-1-yl)methyl]phenyl]-3-(2-quinolin-8-ylethyl)urea has a molecular weight of 388.47 g/mol, XLogP of 3.72, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[(2-oxopyrrolidin-1-yl)methyl]phenyl]-3-(2-quinolin-8-ylethyl)urea is sourced from PubChem (CID 78886962), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).