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

C18H27N3O2 — CID 102562629

IUPAC1-[(3-hydroxycyclopentyl)methyl]-3-[(1-methyl-3,4-dihydro-2H-quinolin-4-yl)methyl]urea
SMILESCN1CCC(CNC(=O)NCC2CCC(O)C2)c2ccccc21
InChIInChI=1S/C18H27N3O2/c1-21-9-8-14(16-4-2-3-5-17(16)21)12-20-18(23)19-11-13-6-7-15(22)10-13/h2-5,13-15,22H,6-12H2,1H3,(H2,19,20,23)
InChIKeyRIXCXIMKDJWLDB-UHFFFAOYSA-N
MW317.43 g/mol
LogP2.07
Rot. Bonds4

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

1-[(3-hydroxycyclopentyl)methyl]-3-[(1-methyl-3,4-dihydro-2H-quinolin-4-yl)methyl]urea (PubChem CID 102562629) has the molecular formula C18H27N3O2 and a molecular weight of 317.43 g/mol. Its IUPAC name is 1-[(3-hydroxycyclopentyl)methyl]-3-[(1-methyl-3,4-dihydro-2H-quinolin-4-yl)methyl]urea.

Molecular Properties

Compound Name1-[(3-hydroxycyclopentyl)methyl]-3-[(1-methyl-3,4-dihydro-2H-quinolin-4-yl)methyl]urea
PubChem CID102562629
Molecular FormulaC18H27N3O2
Molecular Weight317.43 g/mol
Exact Mass317.21
IUPAC Name1-[(3-hydroxycyclopentyl)methyl]-3-[(1-methyl-3,4-dihydro-2H-quinolin-4-yl)methyl]urea
SMILESCN1CCC(CNC(=O)NCC2CCC(O)C2)c2ccccc21
InChIInChI=1S/C18H27N3O2/c1-21-9-8-14(16-4-2-3-5-17(16)21)12-20-18(23)19-11-13-6-7-15(22)10-13/h2-5,13-15,22H,6-12H2,1H3,(H2,19,20,23)
InChIKeyRIXCXIMKDJWLDB-UHFFFAOYSA-N
XLogP2.07
TPSA64.60 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.43
LogP ≤ 52.07
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Analyze 1-[(3-hydroxycyclopentyl)methyl]-3-[(1-methyl-3,4-dihydro-2H-quinolin-4-yl)methyl]urea with MolForge

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Related Compounds

1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-3-[(1-methyl-3,4-dihydro-2H-quinolin-4-yl)methyl]urea
CID 47866062
(2S)-N-[(2S)-butan-2-yl]-2-[[(4S)-1-methyl-3,4-dihydro-2H-quinolin-4-yl]methylcarbamoylamino]propanamide
CID 124839666
1-[[(4S)-1-methyl-3,4-dihydro-2H-quinolin-4-yl]methyl]-3-[(2R)-1-oxo-1-piperidin-1-ylpropan-2-yl]urea
CID 52516273
N-methyl-1-(1-methyl-3,4-dihydro-2H-quinolin-4-yl)methanamine;hydrochloride
CID 175798453
N-[[(4S)-1-methyl-3,4-dihydro-2H-quinolin-4-yl]methyl]-1-(2-methylpropyl)piperidine-4-carboxamide
CID 94637916
methyl 2-(1-methyl-3,4-dihydro-2H-quinolin-4-yl)acetate
CID 115031353
1-[(3-hydroxycyclohexyl)methyl]-3-[(2-piperidin-1-ylphenyl)methyl]urea
CID 75499728
N-methyl-N-[2-[(1-methyl-3,4-dihydro-2H-quinolin-4-yl)methylamino]-2-oxoethyl]prop-2-enamide
CID 167925297
1-[(3-hydroxycyclohexyl)methyl]-3-[2-(2-methyl-2,3-dihydroindol-1-yl)ethyl]urea
CID 111505408
N-benzyl-1-(1-methyl-3,4-dihydro-2H-quinolin-4-yl)methanamine
CID 126827020
1-[(3-hydroxycyclopentyl)methyl]-3-propylurea
CID 103207904
1-[[(1S,3S)-3-hydroxycyclohexyl]methyl]-3-[(2-methyl-1,3-dihydroinden-2-yl)methyl]urea
CID 97147839

Frequently Asked Questions

What is the IUPAC name of 1-[(3-hydroxycyclopentyl)methyl]-3-[(1-methyl-3,4-dihydro-2H-quinolin-4-yl)methyl]urea?
The IUPAC name of 1-[(3-hydroxycyclopentyl)methyl]-3-[(1-methyl-3,4-dihydro-2H-quinolin-4-yl)methyl]urea (CID 102562629) is 1-[(3-hydroxycyclopentyl)methyl]-3-[(1-methyl-3,4-dihydro-2H-quinolin-4-yl)methyl]urea.
What is the SMILES notation for 1-[(3-hydroxycyclopentyl)methyl]-3-[(1-methyl-3,4-dihydro-2H-quinolin-4-yl)methyl]urea?
The canonical SMILES for 1-[(3-hydroxycyclopentyl)methyl]-3-[(1-methyl-3,4-dihydro-2H-quinolin-4-yl)methyl]urea is CN1CCC(CNC(=O)NCC2CCC(O)C2)c2ccccc21.
What is the InChIKey of 1-[(3-hydroxycyclopentyl)methyl]-3-[(1-methyl-3,4-dihydro-2H-quinolin-4-yl)methyl]urea?
The InChIKey is RIXCXIMKDJWLDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27N3O2/c1-21-9-8-14(16-4-2-3-5-17(16)21)12-20-18(23)19-11-13-6-7-15(22)10-13/h2-5,13-15,22H,6-12H2,1H3,(H2,19,20,23).
What are the key properties of 1-[(3-hydroxycyclopentyl)methyl]-3-[(1-methyl-3,4-dihydro-2H-quinolin-4-yl)methyl]urea?
1-[(3-hydroxycyclopentyl)methyl]-3-[(1-methyl-3,4-dihydro-2H-quinolin-4-yl)methyl]urea has a molecular weight of 317.43 g/mol, XLogP of 2.07, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3-hydroxycyclopentyl)methyl]-3-[(1-methyl-3,4-dihydro-2H-quinolin-4-yl)methyl]urea is sourced from PubChem (CID 102562629), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).