1-[(2S,4S)-1-ethyl-2-methylpiperidin-4-yl]-1-methyl-3-quinolin-8-ylurea

C19H26N4O — CID 95784277

IUPAC1-[(2S,4S)-1-ethyl-2-methylpiperidin-4-yl]-1-methyl-3-quinolin-8-ylurea
SMILESCCN1CC[C@H](N(C)C(=O)Nc2cccc3cccnc23)C[C@@H]1C
InChIInChI=1S/C19H26N4O/c1-4-23-12-10-16(13-14(23)2)22(3)19(24)21-17-9-5-7-15-8-6-11-20-18(15)17/h5-9,11,14,16H,4,10,12-13H2,1-3H3,(H,21,24)/t14-,16-/m0/s1
InChIKeyVZOPXZFACAUSQX-HOCLYGCPSA-N
MW326.44 g/mol
LogP3.57
Rot. Bonds3

About 1-[(2S,4S)-1-ethyl-2-methylpiperidin-4-yl]-1-methyl-3-quinolin-8-ylurea

1-[(2S,4S)-1-ethyl-2-methylpiperidin-4-yl]-1-methyl-3-quinolin-8-ylurea (PubChem CID 95784277) has the molecular formula C19H26N4O and a molecular weight of 326.44 g/mol. Its IUPAC name is 1-[(2S,4S)-1-ethyl-2-methylpiperidin-4-yl]-1-methyl-3-quinolin-8-ylurea.

Molecular Properties

Compound Name1-[(2S,4S)-1-ethyl-2-methylpiperidin-4-yl]-1-methyl-3-quinolin-8-ylurea
PubChem CID95784277
Molecular FormulaC19H26N4O
Molecular Weight326.44 g/mol
Exact Mass326.21
IUPAC Name1-[(2S,4S)-1-ethyl-2-methylpiperidin-4-yl]-1-methyl-3-quinolin-8-ylurea
SMILESCCN1CC[C@H](N(C)C(=O)Nc2cccc3cccnc23)C[C@@H]1C
InChIInChI=1S/C19H26N4O/c1-4-23-12-10-16(13-14(23)2)22(3)19(24)21-17-9-5-7-15-8-6-11-20-18(15)17/h5-9,11,14,16H,4,10,12-13H2,1-3H3,(H,21,24)/t14-,16-/m0/s1
InChIKeyVZOPXZFACAUSQX-HOCLYGCPSA-N
XLogP3.57
TPSA48.47 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.44
LogP ≤ 53.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 1-[(2S,4S)-1-ethyl-2-methylpiperidin-4-yl]-1-methyl-3-quinolin-8-ylurea with MolForge

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Related Compounds

1-(1,1-dioxothiolan-3-yl)-1-methyl-3-quinolin-8-ylurea
CID 108989443
3-[[methyl-(3-methylcyclohexyl)carbamoyl]amino]pyridine-2-carboxylic acid
CID 104743378
1-[(2S,4S)-1-benzyl-2-methylpiperidin-4-yl]-1-methyl-3-pyridin-4-ylurea
CID 95632987
1-[[(2S)-oxolan-2-yl]methyl]-1-[[(2R)-oxolan-2-yl]methyl]-3-quinolin-8-ylurea
CID 95152122
3-(2-ethylpiperidin-1-yl)-3-oxo-N-quinolin-8-ylpropanamide
CID 108952272
3-[[methyl-(1-methylpiperidin-4-yl)carbamoyl]amino]pyridine-2-carboxylic acid
CID 104743192
1-[[(2R,4S)-2-methyloxan-4-yl]methyl]-3-quinolin-8-ylurea
CID 97255277
2-N,3-N-di(quinolin-8-yl)bicyclo[2.2.1]heptane-2,3-dicarboxamide
CID 135023876
2-[acetyl-[2-(dimethylamino)ethyl]amino]-N-quinolin-8-ylacetamide
CID 113160554
(2S)-2-cyclopentyl-N-quinolin-8-ylpyrrolidine-1-carboxamide
CID 94652787
1-propylsulfonyl-N-quinolin-8-ylpiperidine-4-carboxamide
CID 113008386
1-N'-(1,1-dioxothiolan-3-yl)-1-N'-methyl-1-N-quinolin-8-ylcyclopropane-1,1-dicarboxamide
CID 108978101

Frequently Asked Questions

What is the IUPAC name of 1-[(2S,4S)-1-ethyl-2-methylpiperidin-4-yl]-1-methyl-3-quinolin-8-ylurea?
The IUPAC name of 1-[(2S,4S)-1-ethyl-2-methylpiperidin-4-yl]-1-methyl-3-quinolin-8-ylurea (CID 95784277) is 1-[(2S,4S)-1-ethyl-2-methylpiperidin-4-yl]-1-methyl-3-quinolin-8-ylurea.
What is the SMILES notation for 1-[(2S,4S)-1-ethyl-2-methylpiperidin-4-yl]-1-methyl-3-quinolin-8-ylurea?
The canonical SMILES for 1-[(2S,4S)-1-ethyl-2-methylpiperidin-4-yl]-1-methyl-3-quinolin-8-ylurea is CCN1CC[C@H](N(C)C(=O)Nc2cccc3cccnc23)C[C@@H]1C.
What is the InChIKey of 1-[(2S,4S)-1-ethyl-2-methylpiperidin-4-yl]-1-methyl-3-quinolin-8-ylurea?
The InChIKey is VZOPXZFACAUSQX-HOCLYGCPSA-N. The full InChI is InChI=1S/C19H26N4O/c1-4-23-12-10-16(13-14(23)2)22(3)19(24)21-17-9-5-7-15-8-6-11-20-18(15)17/h5-9,11,14,16H,4,10,12-13H2,1-3H3,(H,21,24)/t14-,16-/m0/s1.
What are the key properties of 1-[(2S,4S)-1-ethyl-2-methylpiperidin-4-yl]-1-methyl-3-quinolin-8-ylurea?
1-[(2S,4S)-1-ethyl-2-methylpiperidin-4-yl]-1-methyl-3-quinolin-8-ylurea has a molecular weight of 326.44 g/mol, XLogP of 3.57, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2S,4S)-1-ethyl-2-methylpiperidin-4-yl]-1-methyl-3-quinolin-8-ylurea is sourced from PubChem (CID 95784277), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).