1-[[(4S)-1-methyl-3,4-dihydro-2H-quinolin-4-yl]methyl]-3-[(2R)-1-oxo-1-piperidin-1-ylpropan-2-yl]urea

C20H30N4O2 — CID 52516273

IUPAC1-[[(4S)-1-methyl-3,4-dihydro-2H-quinolin-4-yl]methyl]-3-[(2R)-1-oxo-1-piperidin-1-ylpropan-2-yl]urea
SMILESC[C@@H](NC(=O)NC[C@H]1CCN(C)c2ccccc21)C(=O)N1CCCCC1
InChIInChI=1S/C20H30N4O2/c1-15(19(25)24-11-6-3-7-12-24)22-20(26)21-14-16-10-13-23(2)18-9-5-4-8-17(16)18/h4-5,8-9,15-16H,3,6-7,10-14H2,1-2H3,(H2,21,22,26)/t15-,16-/m1/s1
InChIKeyHBFDUHCPKPCGFY-HZPDHXFCSA-N
MW358.49 g/mol
LogP2.31
Rot. Bonds4

About 1-[[(4S)-1-methyl-3,4-dihydro-2H-quinolin-4-yl]methyl]-3-[(2R)-1-oxo-1-piperidin-1-ylpropan-2-yl]urea

1-[[(4S)-1-methyl-3,4-dihydro-2H-quinolin-4-yl]methyl]-3-[(2R)-1-oxo-1-piperidin-1-ylpropan-2-yl]urea (PubChem CID 52516273) has the molecular formula C20H30N4O2 and a molecular weight of 358.49 g/mol. Its IUPAC name is 1-[[(4S)-1-methyl-3,4-dihydro-2H-quinolin-4-yl]methyl]-3-[(2R)-1-oxo-1-piperidin-1-ylpropan-2-yl]urea.

Molecular Properties

Compound Name1-[[(4S)-1-methyl-3,4-dihydro-2H-quinolin-4-yl]methyl]-3-[(2R)-1-oxo-1-piperidin-1-ylpropan-2-yl]urea
PubChem CID52516273
Molecular FormulaC20H30N4O2
Molecular Weight358.49 g/mol
Exact Mass358.24
IUPAC Name1-[[(4S)-1-methyl-3,4-dihydro-2H-quinolin-4-yl]methyl]-3-[(2R)-1-oxo-1-piperidin-1-ylpropan-2-yl]urea
SMILESC[C@@H](NC(=O)NC[C@H]1CCN(C)c2ccccc21)C(=O)N1CCCCC1
InChIInChI=1S/C20H30N4O2/c1-15(19(25)24-11-6-3-7-12-24)22-20(26)21-14-16-10-13-23(2)18-9-5-4-8-17(16)18/h4-5,8-9,15-16H,3,6-7,10-14H2,1-2H3,(H2,21,22,26)/t15-,16-/m1/s1
InChIKeyHBFDUHCPKPCGFY-HZPDHXFCSA-N
XLogP2.31
TPSA64.68 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.49
LogP ≤ 52.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 1-[[(4S)-1-methyl-3,4-dihydro-2H-quinolin-4-yl]methyl]-3-[(2R)-1-oxo-1-piperidin-1-ylpropan-2-yl]urea with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(2S)-N-[(2S)-butan-2-yl]-2-[[(4S)-1-methyl-3,4-dihydro-2H-quinolin-4-yl]methylcarbamoylamino]propanamide
CID 124839666
N-[[(4S)-1-methyl-3,4-dihydro-2H-quinolin-4-yl]methyl]-1-(2-methylpropyl)piperidine-4-carboxamide
CID 94637916
1-[(3-hydroxycyclopentyl)methyl]-3-[(1-methyl-3,4-dihydro-2H-quinolin-4-yl)methyl]urea
CID 102562629
N-methyl-1-(1-methyl-3,4-dihydro-2H-quinolin-4-yl)methanamine;hydrochloride
CID 175798453
2-(7-bicyclo[4.2.0]octa-1,3,5-trienylmethylamino)-1-piperidin-1-ylpropan-1-one
CID 66395436
methyl 2-(1-methyl-3,4-dihydro-2H-quinolin-4-yl)acetate
CID 115031353
2-(7-bicyclo[4.2.0]octa-1,3,5-trienylmethylamino)-1-pyrrolidin-1-ylpropan-1-one
CID 66396772
N-methyl-N-[2-[(1-methyl-3,4-dihydro-2H-quinolin-4-yl)methylamino]-2-oxoethyl]prop-2-enamide
CID 167925297
2-(2,3-dihydro-1H-inden-1-ylamino)-1-piperidin-1-ylpropan-1-one
CID 43411283
(3S)-N-[(2R)-1-oxo-1-piperidin-1-ylpropan-2-yl]-2,3-dihydro-1-benzofuran-3-carboxamide
CID 97213546
1-[(2R)-1-(2-fluorophenyl)propan-2-yl]-3-[(2S)-1-oxo-1-piperidin-1-ylpropan-2-yl]urea
CID 95284220
N-(1-oxo-1-piperidin-1-ylpropan-2-yl)-2-phenacylsulfanylacetamide
CID 51101270

Frequently Asked Questions

What is the IUPAC name of 1-[[(4S)-1-methyl-3,4-dihydro-2H-quinolin-4-yl]methyl]-3-[(2R)-1-oxo-1-piperidin-1-ylpropan-2-yl]urea?
The IUPAC name of 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) is 1-[[(4S)-1-methyl-3,4-dihydro-2H-quinolin-4-yl]methyl]-3-[(2R)-1-oxo-1-piperidin-1-ylpropan-2-yl]urea.
What is the SMILES notation for 1-[[(4S)-1-methyl-3,4-dihydro-2H-quinolin-4-yl]methyl]-3-[(2R)-1-oxo-1-piperidin-1-ylpropan-2-yl]urea?
The canonical SMILES for 1-[[(4S)-1-methyl-3,4-dihydro-2H-quinolin-4-yl]methyl]-3-[(2R)-1-oxo-1-piperidin-1-ylpropan-2-yl]urea is C[C@@H](NC(=O)NC[C@H]1CCN(C)c2ccccc21)C(=O)N1CCCCC1.
What is the InChIKey of 1-[[(4S)-1-methyl-3,4-dihydro-2H-quinolin-4-yl]methyl]-3-[(2R)-1-oxo-1-piperidin-1-ylpropan-2-yl]urea?
The InChIKey is HBFDUHCPKPCGFY-HZPDHXFCSA-N. The full InChI is InChI=1S/C20H30N4O2/c1-15(19(25)24-11-6-3-7-12-24)22-20(26)21-14-16-10-13-23(2)18-9-5-4-8-17(16)18/h4-5,8-9,15-16H,3,6-7,10-14H2,1-2H3,(H2,21,22,26)/t15-,16-/m1/s1.
What are the key properties of 1-[[(4S)-1-methyl-3,4-dihydro-2H-quinolin-4-yl]methyl]-3-[(2R)-1-oxo-1-piperidin-1-ylpropan-2-yl]urea?
1-[[(4S)-1-methyl-3,4-dihydro-2H-quinolin-4-yl]methyl]-3-[(2R)-1-oxo-1-piperidin-1-ylpropan-2-yl]urea has a molecular weight of 358.49 g/mol, XLogP of 2.31, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[(4S)-1-methyl-3,4-dihydro-2H-quinolin-4-yl]methyl]-3-[(2R)-1-oxo-1-piperidin-1-ylpropan-2-yl]urea is sourced from PubChem (CID 52516273), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).