1-cyclopentyl-1-cyclopropyl-3-[(2-oxo-3,4-dihydro-1H-quinolin-4-yl)methyl]urea

C19H25N3O2 — CID 75376851

IUPAC1-cyclopentyl-1-cyclopropyl-3-[(2-oxo-3,4-dihydro-1H-quinolin-4-yl)methyl]urea
SMILESO=C1CC(CNC(=O)N(C2CCCC2)C2CC2)c2ccccc2N1
InChIInChI=1S/C19H25N3O2/c23-18-11-13(16-7-3-4-8-17(16)21-18)12-20-19(24)22(15-9-10-15)14-5-1-2-6-14/h3-4,7-8,13-15H,1-2,5-6,9-12H2,(H,20,24)(H,21,23)
InChIKeyYHEJTUMSPIVCKB-UHFFFAOYSA-N
MW327.43 g/mol
LogP3.23
Rot. Bonds4

About 1-cyclopentyl-1-cyclopropyl-3-[(2-oxo-3,4-dihydro-1H-quinolin-4-yl)methyl]urea

1-cyclopentyl-1-cyclopropyl-3-[(2-oxo-3,4-dihydro-1H-quinolin-4-yl)methyl]urea (PubChem CID 75376851) has the molecular formula C19H25N3O2 and a molecular weight of 327.43 g/mol. Its IUPAC name is 1-cyclopentyl-1-cyclopropyl-3-[(2-oxo-3,4-dihydro-1H-quinolin-4-yl)methyl]urea.

Molecular Properties

Compound Name1-cyclopentyl-1-cyclopropyl-3-[(2-oxo-3,4-dihydro-1H-quinolin-4-yl)methyl]urea
PubChem CID75376851
Molecular FormulaC19H25N3O2
Molecular Weight327.43 g/mol
Exact Mass327.19
IUPAC Name1-cyclopentyl-1-cyclopropyl-3-[(2-oxo-3,4-dihydro-1H-quinolin-4-yl)methyl]urea
SMILESO=C1CC(CNC(=O)N(C2CCCC2)C2CC2)c2ccccc2N1
InChIInChI=1S/C19H25N3O2/c23-18-11-13(16-7-3-4-8-17(16)21-18)12-20-19(24)22(15-9-10-15)14-5-1-2-6-14/h3-4,7-8,13-15H,1-2,5-6,9-12H2,(H,20,24)(H,21,23)
InChIKeyYHEJTUMSPIVCKB-UHFFFAOYSA-N
XLogP3.23
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.43
LogP ≤ 53.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-cyclopentyl-1-cyclopropyl-3-[(2-oxo-3,4-dihydro-1H-quinolin-4-yl)methyl]urea?
The IUPAC name of 1-cyclopentyl-1-cyclopropyl-3-[(2-oxo-3,4-dihydro-1H-quinolin-4-yl)methyl]urea (CID 75376851) is 1-cyclopentyl-1-cyclopropyl-3-[(2-oxo-3,4-dihydro-1H-quinolin-4-yl)methyl]urea.
What is the SMILES notation for 1-cyclopentyl-1-cyclopropyl-3-[(2-oxo-3,4-dihydro-1H-quinolin-4-yl)methyl]urea?
The canonical SMILES for 1-cyclopentyl-1-cyclopropyl-3-[(2-oxo-3,4-dihydro-1H-quinolin-4-yl)methyl]urea is O=C1CC(CNC(=O)N(C2CCCC2)C2CC2)c2ccccc2N1.
What is the InChIKey of 1-cyclopentyl-1-cyclopropyl-3-[(2-oxo-3,4-dihydro-1H-quinolin-4-yl)methyl]urea?
The InChIKey is YHEJTUMSPIVCKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25N3O2/c23-18-11-13(16-7-3-4-8-17(16)21-18)12-20-19(24)22(15-9-10-15)14-5-1-2-6-14/h3-4,7-8,13-15H,1-2,5-6,9-12H2,(H,20,24)(H,21,23).
What are the key properties of 1-cyclopentyl-1-cyclopropyl-3-[(2-oxo-3,4-dihydro-1H-quinolin-4-yl)methyl]urea?
1-cyclopentyl-1-cyclopropyl-3-[(2-oxo-3,4-dihydro-1H-quinolin-4-yl)methyl]urea has a molecular weight of 327.43 g/mol, XLogP of 3.23, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopentyl-1-cyclopropyl-3-[(2-oxo-3,4-dihydro-1H-quinolin-4-yl)methyl]urea is sourced from PubChem (CID 75376851), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).