1-(1-methyl-2-oxo-3,4-dihydroquinolin-5-yl)-3-[(1R,3S)-3-phenylcyclopentyl]urea

C22H25N3O2 — CID 66550054

IUPAC1-(1-methyl-2-oxo-3,4-dihydroquinolin-5-yl)-3-[(1R,3S)-3-phenylcyclopentyl]urea
SMILESCN1C(=O)CCc2c(NC(=O)N[C@@H]3CC[C@H](c4ccccc4)C3)cccc21
InChIInChI=1S/C22H25N3O2/c1-25-20-9-5-8-19(18(20)12-13-21(25)26)24-22(27)23-17-11-10-16(14-17)15-6-3-2-4-7-15/h2-9,16-17H,10-14H2,1H3,(H2,23,24,27)/t16-,17+/m0/s1
InChIKeyLROUIROOTPZFRQ-DLBZAZTESA-N
MW363.46 g/mol
LogP4.05
Rot. Bonds3

About 1-(1-methyl-2-oxo-3,4-dihydroquinolin-5-yl)-3-[(1R,3S)-3-phenylcyclopentyl]urea

1-(1-methyl-2-oxo-3,4-dihydroquinolin-5-yl)-3-[(1R,3S)-3-phenylcyclopentyl]urea (PubChem CID 66550054) has the molecular formula C22H25N3O2 and a molecular weight of 363.46 g/mol. Its IUPAC name is 1-(1-methyl-2-oxo-3,4-dihydroquinolin-5-yl)-3-[(1R,3S)-3-phenylcyclopentyl]urea.

Molecular Properties

Compound Name1-(1-methyl-2-oxo-3,4-dihydroquinolin-5-yl)-3-[(1R,3S)-3-phenylcyclopentyl]urea
PubChem CID66550054
Molecular FormulaC22H25N3O2
Molecular Weight363.46 g/mol
Exact Mass363.19
IUPAC Name1-(1-methyl-2-oxo-3,4-dihydroquinolin-5-yl)-3-[(1R,3S)-3-phenylcyclopentyl]urea
SMILESCN1C(=O)CCc2c(NC(=O)N[C@@H]3CC[C@H](c4ccccc4)C3)cccc21
InChIInChI=1S/C22H25N3O2/c1-25-20-9-5-8-19(18(20)12-13-21(25)26)24-22(27)23-17-11-10-16(14-17)15-6-3-2-4-7-15/h2-9,16-17H,10-14H2,1H3,(H2,23,24,27)/t16-,17+/m0/s1
InChIKeyLROUIROOTPZFRQ-DLBZAZTESA-N
XLogP4.05
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.46
LogP ≤ 54.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(1-methyl-2-oxo-3,4-dihydroquinolin-5-yl)-3-[(1R,3S)-3-phenylcyclopentyl]urea?
The IUPAC name of 1-(1-methyl-2-oxo-3,4-dihydroquinolin-5-yl)-3-[(1R,3S)-3-phenylcyclopentyl]urea (CID 66550054) is 1-(1-methyl-2-oxo-3,4-dihydroquinolin-5-yl)-3-[(1R,3S)-3-phenylcyclopentyl]urea.
What is the SMILES notation for 1-(1-methyl-2-oxo-3,4-dihydroquinolin-5-yl)-3-[(1R,3S)-3-phenylcyclopentyl]urea?
The canonical SMILES for 1-(1-methyl-2-oxo-3,4-dihydroquinolin-5-yl)-3-[(1R,3S)-3-phenylcyclopentyl]urea is CN1C(=O)CCc2c(NC(=O)N[C@@H]3CC[C@H](c4ccccc4)C3)cccc21.
What is the InChIKey of 1-(1-methyl-2-oxo-3,4-dihydroquinolin-5-yl)-3-[(1R,3S)-3-phenylcyclopentyl]urea?
The InChIKey is LROUIROOTPZFRQ-DLBZAZTESA-N. The full InChI is InChI=1S/C22H25N3O2/c1-25-20-9-5-8-19(18(20)12-13-21(25)26)24-22(27)23-17-11-10-16(14-17)15-6-3-2-4-7-15/h2-9,16-17H,10-14H2,1H3,(H2,23,24,27)/t16-,17+/m0/s1.
What are the key properties of 1-(1-methyl-2-oxo-3,4-dihydroquinolin-5-yl)-3-[(1R,3S)-3-phenylcyclopentyl]urea?
1-(1-methyl-2-oxo-3,4-dihydroquinolin-5-yl)-3-[(1R,3S)-3-phenylcyclopentyl]urea has a molecular weight of 363.46 g/mol, XLogP of 4.05, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-methyl-2-oxo-3,4-dihydroquinolin-5-yl)-3-[(1R,3S)-3-phenylcyclopentyl]urea is sourced from PubChem (CID 66550054), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).