3-cyclohexyl-1-[(6-ethyl-2-oxo-1H-quinolin-3-yl)methyl]-1-(3-hydroxypropyl)urea

C22H31N3O3 — CID 3172399

IUPAC3-cyclohexyl-1-[(6-ethyl-2-oxo-1H-quinolin-3-yl)methyl]-1-(3-hydroxypropyl)urea
SMILESCCc1ccc2[nH]c(=O)c(CN(CCCO)C(=O)NC3CCCCC3)cc2c1
InChIInChI=1S/C22H31N3O3/c1-2-16-9-10-20-17(13-16)14-18(21(27)24-20)15-25(11-6-12-26)22(28)23-19-7-4-3-5-8-19/h9-10,13-14,19,26H,2-8,11-12,15H2,1H3,(H,23,28)(H,24,27)
InChIKeyGOONVWOXXAANGS-UHFFFAOYSA-N
MW385.51 g/mol
LogP3.32
Rot. Bonds7

About 3-cyclohexyl-1-[(6-ethyl-2-oxo-1H-quinolin-3-yl)methyl]-1-(3-hydroxypropyl)urea

3-cyclohexyl-1-[(6-ethyl-2-oxo-1H-quinolin-3-yl)methyl]-1-(3-hydroxypropyl)urea (PubChem CID 3172399) has the molecular formula C22H31N3O3 and a molecular weight of 385.51 g/mol. Its IUPAC name is 3-cyclohexyl-1-[(6-ethyl-2-oxo-1H-quinolin-3-yl)methyl]-1-(3-hydroxypropyl)urea.

Molecular Properties

Compound Name3-cyclohexyl-1-[(6-ethyl-2-oxo-1H-quinolin-3-yl)methyl]-1-(3-hydroxypropyl)urea
PubChem CID3172399
Molecular FormulaC22H31N3O3
Molecular Weight385.51 g/mol
Exact Mass385.24
IUPAC Name3-cyclohexyl-1-[(6-ethyl-2-oxo-1H-quinolin-3-yl)methyl]-1-(3-hydroxypropyl)urea
SMILESCCc1ccc2[nH]c(=O)c(CN(CCCO)C(=O)NC3CCCCC3)cc2c1
InChIInChI=1S/C22H31N3O3/c1-2-16-9-10-20-17(13-16)14-18(21(27)24-20)15-25(11-6-12-26)22(28)23-19-7-4-3-5-8-19/h9-10,13-14,19,26H,2-8,11-12,15H2,1H3,(H,23,28)(H,24,27)
InChIKeyGOONVWOXXAANGS-UHFFFAOYSA-N
XLogP3.32
TPSA85.43 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.51
LogP ≤ 53.32
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

3-cyclohexyl-1-[(6-ethyl-2-oxo-1H-quinolin-3-yl)methyl]-1-[[(2S)-oxolan-2-yl]methyl]urea
CID 1138179
1-[(2-chlorophenyl)methyl]-3-cyclohexyl-1-[(6-ethyl-2-oxo-1H-quinolin-3-yl)methyl]urea
CID 3194704
1-(1,3-benzodioxol-5-ylmethyl)-3-cyclohexyl-1-[(6-ethyl-2-oxo-1H-quinolin-3-yl)methyl]urea
CID 1375134
3-cyclohexyl-1-[(6-ethyl-2-oxo-1H-quinolin-3-yl)methyl]-1-[[(2R)-oxolan-2-yl]methyl]thiourea
CID 1169379
3-cyclohexyl-1-(2-hydroxyethyl)-1-[(7-methyl-2-oxo-1H-quinolin-3-yl)methyl]urea
CID 1138137
1-[(6-ethyl-2-oxo-1H-quinolin-3-yl)methyl]-1-(3-hydroxypropyl)-3-[[(2S)-oxolan-2-yl]methyl]thiourea
CID 7108189
3-cyclohexyl-1-[2-(dimethylamino)ethyl]-1-[(6-methoxy-2-oxo-1H-quinolin-3-yl)methyl]urea
CID 1430556
1-benzyl-3-cyclohexyl-1-[(6-ethoxy-2-oxo-1H-quinolin-3-yl)methyl]urea
CID 4193062
3-cyclohexyl-1-[(6-ethoxy-2-oxo-1H-quinolin-3-yl)methyl]-1-(2-morpholin-4-ylethyl)urea
CID 1138164
2-[cyclohexylcarbamoyl-[(7-methyl-2-oxo-1H-quinolin-3-yl)methyl]amino]ethyl-dimethylazanium
CID 7141127
3-cyclohexyl-1-[2-(dimethylamino)ethyl]-1-[(7-oxo-3,6-dihydro-2H-[1,4]dioxino[2,3-g]quinolin-8-yl)methyl]urea
CID 1437400
3-(2,4-dimethylphenyl)-1-[(6-ethyl-2-oxo-1H-quinolin-3-yl)methyl]-1-(3-hydroxypropyl)thiourea
CID 3174131

Frequently Asked Questions

What is the IUPAC name of 3-cyclohexyl-1-[(6-ethyl-2-oxo-1H-quinolin-3-yl)methyl]-1-(3-hydroxypropyl)urea?
The IUPAC name of 3-cyclohexyl-1-[(6-ethyl-2-oxo-1H-quinolin-3-yl)methyl]-1-(3-hydroxypropyl)urea (CID 3172399) is 3-cyclohexyl-1-[(6-ethyl-2-oxo-1H-quinolin-3-yl)methyl]-1-(3-hydroxypropyl)urea.
What is the SMILES notation for 3-cyclohexyl-1-[(6-ethyl-2-oxo-1H-quinolin-3-yl)methyl]-1-(3-hydroxypropyl)urea?
The canonical SMILES for 3-cyclohexyl-1-[(6-ethyl-2-oxo-1H-quinolin-3-yl)methyl]-1-(3-hydroxypropyl)urea is CCc1ccc2[nH]c(=O)c(CN(CCCO)C(=O)NC3CCCCC3)cc2c1.
What is the InChIKey of 3-cyclohexyl-1-[(6-ethyl-2-oxo-1H-quinolin-3-yl)methyl]-1-(3-hydroxypropyl)urea?
The InChIKey is GOONVWOXXAANGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H31N3O3/c1-2-16-9-10-20-17(13-16)14-18(21(27)24-20)15-25(11-6-12-26)22(28)23-19-7-4-3-5-8-19/h9-10,13-14,19,26H,2-8,11-12,15H2,1H3,(H,23,28)(H,24,27).
What are the key properties of 3-cyclohexyl-1-[(6-ethyl-2-oxo-1H-quinolin-3-yl)methyl]-1-(3-hydroxypropyl)urea?
3-cyclohexyl-1-[(6-ethyl-2-oxo-1H-quinolin-3-yl)methyl]-1-(3-hydroxypropyl)urea has a molecular weight of 385.51 g/mol, XLogP of 3.32, 7 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclohexyl-1-[(6-ethyl-2-oxo-1H-quinolin-3-yl)methyl]-1-(3-hydroxypropyl)urea is sourced from PubChem (CID 3172399), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).