1-[[(2S)-4-methylmorpholin-2-yl]methyl]-3-(quinolin-6-ylmethyl)urea

C17H22N4O2 — CID 99840657

IUPAC1-[[(2S)-4-methylmorpholin-2-yl]methyl]-3-(quinolin-6-ylmethyl)urea
SMILESCN1CCO[C@@H](CNC(=O)NCc2ccc3ncccc3c2)C1
InChIInChI=1S/C17H22N4O2/c1-21-7-8-23-15(12-21)11-20-17(22)19-10-13-4-5-16-14(9-13)3-2-6-18-16/h2-6,9,15H,7-8,10-12H2,1H3,(H2,19,20,22)/t15-/m0/s1
InChIKeyVXTDLCVSIIPLKC-HNNXBMFYSA-N
MW314.39 g/mol
LogP1.36
Rot. Bonds4

About 1-[[(2S)-4-methylmorpholin-2-yl]methyl]-3-(quinolin-6-ylmethyl)urea

1-[[(2S)-4-methylmorpholin-2-yl]methyl]-3-(quinolin-6-ylmethyl)urea (PubChem CID 99840657) has the molecular formula C17H22N4O2 and a molecular weight of 314.39 g/mol. Its IUPAC name is 1-[[(2S)-4-methylmorpholin-2-yl]methyl]-3-(quinolin-6-ylmethyl)urea.

Molecular Properties

Compound Name1-[[(2S)-4-methylmorpholin-2-yl]methyl]-3-(quinolin-6-ylmethyl)urea
PubChem CID99840657
Molecular FormulaC17H22N4O2
Molecular Weight314.39 g/mol
Exact Mass314.17
IUPAC Name1-[[(2S)-4-methylmorpholin-2-yl]methyl]-3-(quinolin-6-ylmethyl)urea
SMILESCN1CCO[C@@H](CNC(=O)NCc2ccc3ncccc3c2)C1
InChIInChI=1S/C17H22N4O2/c1-21-7-8-23-15(12-21)11-20-17(22)19-10-13-4-5-16-14(9-13)3-2-6-18-16/h2-6,9,15H,7-8,10-12H2,1H3,(H2,19,20,22)/t15-/m0/s1
InChIKeyVXTDLCVSIIPLKC-HNNXBMFYSA-N
XLogP1.36
TPSA66.49 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.39
LogP ≤ 51.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(4-methylmorpholin-2-yl)methyl]-2-naphthalen-2-ylacetamide
CID 49094018
1-methyl-4-phenyl-N-(quinolin-6-ylmethyl)piperidine-4-carboxamide
CID 118792538
4-methylsulfonyl-N-(quinolin-6-ylmethyl)piperazine-1-carboxamide
CID 136538713
2,2-dimethyl-N-(quinolin-6-ylmethyl)propanamide
CID 110470774
1-[(1R)-1-[(2R)-oxolan-2-yl]propyl]-3-(quinolin-6-ylmethyl)urea
CID 99840951
1-[(1S)-1-[(2R)-oxolan-2-yl]propyl]-3-(quinolin-6-ylmethyl)urea
CID 99840950
1-benzyl-3-[2-(4-methylmorpholin-2-yl)ethyl]urea
CID 110747007
N-[(4-methylmorpholin-2-yl)methyl]-2-phenylacetamide
CID 110710224
3-(3-hydroxyprop-1-ynyl)-N-[(4-methylmorpholin-2-yl)methyl]pyridine-2-carboxamide
CID 107522794
3-(chloromethyl)-N-[(4-methylmorpholin-2-yl)methyl]benzamide
CID 79082923
3-[[[(2S)-4-methylmorpholin-2-yl]methylamino]methyl]benzamide
CID 95329722
1-methyl-3-[[(2R)-4-(quinolin-6-ylmethyl)morpholin-2-yl]methylamino]pyrazin-2-one
CID 129341795

Frequently Asked Questions

What is the IUPAC name of 1-[[(2S)-4-methylmorpholin-2-yl]methyl]-3-(quinolin-6-ylmethyl)urea?
The IUPAC name of 1-[[(2S)-4-methylmorpholin-2-yl]methyl]-3-(quinolin-6-ylmethyl)urea (CID 99840657) is 1-[[(2S)-4-methylmorpholin-2-yl]methyl]-3-(quinolin-6-ylmethyl)urea.
What is the SMILES notation for 1-[[(2S)-4-methylmorpholin-2-yl]methyl]-3-(quinolin-6-ylmethyl)urea?
The canonical SMILES for 1-[[(2S)-4-methylmorpholin-2-yl]methyl]-3-(quinolin-6-ylmethyl)urea is CN1CCO[C@@H](CNC(=O)NCc2ccc3ncccc3c2)C1.
What is the InChIKey of 1-[[(2S)-4-methylmorpholin-2-yl]methyl]-3-(quinolin-6-ylmethyl)urea?
The InChIKey is VXTDLCVSIIPLKC-HNNXBMFYSA-N. The full InChI is InChI=1S/C17H22N4O2/c1-21-7-8-23-15(12-21)11-20-17(22)19-10-13-4-5-16-14(9-13)3-2-6-18-16/h2-6,9,15H,7-8,10-12H2,1H3,(H2,19,20,22)/t15-/m0/s1.
What are the key properties of 1-[[(2S)-4-methylmorpholin-2-yl]methyl]-3-(quinolin-6-ylmethyl)urea?
1-[[(2S)-4-methylmorpholin-2-yl]methyl]-3-(quinolin-6-ylmethyl)urea has a molecular weight of 314.39 g/mol, XLogP of 1.36, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[(2S)-4-methylmorpholin-2-yl]methyl]-3-(quinolin-6-ylmethyl)urea is sourced from PubChem (CID 99840657), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).