1-(1-methyl-3,4-dihydro-2H-quinolin-6-yl)-3-(1-methyl-2-oxopyrrolidin-3-yl)urea

C16H22N4O2 — CID 71874830

IUPAC1-(1-methyl-3,4-dihydro-2H-quinolin-6-yl)-3-(1-methyl-2-oxopyrrolidin-3-yl)urea
SMILESCN1CCC(NC(=O)Nc2ccc3c(c2)CCCN3C)C1=O
InChIInChI=1S/C16H22N4O2/c1-19-8-3-4-11-10-12(5-6-14(11)19)17-16(22)18-13-7-9-20(2)15(13)21/h5-6,10,13H,3-4,7-9H2,1-2H3,(H2,17,18,22)
InChIKeyYCYCJMNQNPNVLL-UHFFFAOYSA-N
MW302.38 g/mol
LogP1.42
Rot. Bonds2

About 1-(1-methyl-3,4-dihydro-2H-quinolin-6-yl)-3-(1-methyl-2-oxopyrrolidin-3-yl)urea

1-(1-methyl-3,4-dihydro-2H-quinolin-6-yl)-3-(1-methyl-2-oxopyrrolidin-3-yl)urea (PubChem CID 71874830) has the molecular formula C16H22N4O2 and a molecular weight of 302.38 g/mol. Its IUPAC name is 1-(1-methyl-3,4-dihydro-2H-quinolin-6-yl)-3-(1-methyl-2-oxopyrrolidin-3-yl)urea.

Molecular Properties

Compound Name1-(1-methyl-3,4-dihydro-2H-quinolin-6-yl)-3-(1-methyl-2-oxopyrrolidin-3-yl)urea
PubChem CID71874830
Molecular FormulaC16H22N4O2
Molecular Weight302.38 g/mol
Exact Mass302.17
IUPAC Name1-(1-methyl-3,4-dihydro-2H-quinolin-6-yl)-3-(1-methyl-2-oxopyrrolidin-3-yl)urea
SMILESCN1CCC(NC(=O)Nc2ccc3c(c2)CCCN3C)C1=O
InChIInChI=1S/C16H22N4O2/c1-19-8-3-4-11-10-12(5-6-14(11)19)17-16(22)18-13-7-9-20(2)15(13)21/h5-6,10,13H,3-4,7-9H2,1-2H3,(H2,17,18,22)
InChIKeyYCYCJMNQNPNVLL-UHFFFAOYSA-N
XLogP1.42
TPSA64.68 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.38
LogP ≤ 51.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

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Related Compounds

4-[(1-methyl-2-oxopyrrolidin-3-yl)carbamoylamino]benzoic acid
CID 106258149
2-fluoro-4-[(1-methyl-2-oxopyrrolidin-3-yl)carbamoylamino]benzoic acid
CID 106258332
1-cyclopentyl-3-(1-methyl-3,4-dihydro-2H-quinolin-7-yl)urea
CID 110748659
1-[3-(aminomethyl)phenyl]-3-(1-methyl-2-oxopyrrolidin-3-yl)urea
CID 106257725
5-[(1-methyl-2-oxopyrrolidin-3-yl)carbamoylamino]pyridine-3-carboxylic acid
CID 106258258
1-(3-hydroxybutyl)-3-(1-methyl-3,4-dihydro-2H-quinolin-6-yl)urea
CID 111336905
1-[(3R)-1-methyl-2-oxopyrrolidin-3-yl]-3-(1-propan-2-ylindazol-6-yl)urea
CID 97215300
N-(1-methyl-3,4-dihydro-2H-quinolin-7-yl)cyclobutanecarboxamide
CID 110729129
1-(1-hydroxy-2-methylpentan-2-yl)-3-(1-methyl-3,4-dihydro-2H-quinolin-6-yl)urea
CID 111926171
1-(5-hydroxy-4,4-dimethylpentyl)-3-(1-methyl-3,4-dihydro-2H-quinolin-6-yl)urea
CID 111474294
1-(1-methylsulfonyl-3,4-dihydro-2H-quinolin-6-yl)-3-(oxan-4-yl)urea
CID 110623289
(2R)-N-(1-methyl-3,4-dihydro-2H-quinolin-6-yl)-2-(2,2,2-trifluoroethoxy)propanamide
CID 99587635

Frequently Asked Questions

What is the IUPAC name of 1-(1-methyl-3,4-dihydro-2H-quinolin-6-yl)-3-(1-methyl-2-oxopyrrolidin-3-yl)urea?
The IUPAC name of 1-(1-methyl-3,4-dihydro-2H-quinolin-6-yl)-3-(1-methyl-2-oxopyrrolidin-3-yl)urea (CID 71874830) is 1-(1-methyl-3,4-dihydro-2H-quinolin-6-yl)-3-(1-methyl-2-oxopyrrolidin-3-yl)urea.
What is the SMILES notation for 1-(1-methyl-3,4-dihydro-2H-quinolin-6-yl)-3-(1-methyl-2-oxopyrrolidin-3-yl)urea?
The canonical SMILES for 1-(1-methyl-3,4-dihydro-2H-quinolin-6-yl)-3-(1-methyl-2-oxopyrrolidin-3-yl)urea is CN1CCC(NC(=O)Nc2ccc3c(c2)CCCN3C)C1=O.
What is the InChIKey of 1-(1-methyl-3,4-dihydro-2H-quinolin-6-yl)-3-(1-methyl-2-oxopyrrolidin-3-yl)urea?
The InChIKey is YCYCJMNQNPNVLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N4O2/c1-19-8-3-4-11-10-12(5-6-14(11)19)17-16(22)18-13-7-9-20(2)15(13)21/h5-6,10,13H,3-4,7-9H2,1-2H3,(H2,17,18,22).
What are the key properties of 1-(1-methyl-3,4-dihydro-2H-quinolin-6-yl)-3-(1-methyl-2-oxopyrrolidin-3-yl)urea?
1-(1-methyl-3,4-dihydro-2H-quinolin-6-yl)-3-(1-methyl-2-oxopyrrolidin-3-yl)urea has a molecular weight of 302.38 g/mol, XLogP of 1.42, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-methyl-3,4-dihydro-2H-quinolin-6-yl)-3-(1-methyl-2-oxopyrrolidin-3-yl)urea is sourced from PubChem (CID 71874830), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).