1-[(2R)-2-hydroxy-2-[3-(quinolin-2-ylmethoxy)phenyl]ethyl]-3-methylurea

C20H21N3O3 — CID 14675600

IUPAC1-[(2R)-2-hydroxy-2-[3-(quinolin-2-ylmethoxy)phenyl]ethyl]-3-methylurea
SMILESCNC(=O)NC[C@H](O)c1cccc(OCc2ccc3ccccc3n2)c1
InChIInChI=1S/C20H21N3O3/c1-21-20(25)22-12-19(24)15-6-4-7-17(11-15)26-13-16-10-9-14-5-2-3-8-18(14)23-16/h2-11,19,24H,12-13H2,1H3,(H2,21,22,25)/t19-/m0/s1
InChIKeyPULHQSBEIGXMRJ-IBGZPJMESA-N
MW351.41 g/mol
LogP2.78
Rot. Bonds6

About 1-[(2R)-2-hydroxy-2-[3-(quinolin-2-ylmethoxy)phenyl]ethyl]-3-methylurea

1-[(2R)-2-hydroxy-2-[3-(quinolin-2-ylmethoxy)phenyl]ethyl]-3-methylurea (PubChem CID 14675600) has the molecular formula C20H21N3O3 and a molecular weight of 351.41 g/mol. Its IUPAC name is 1-[(2R)-2-hydroxy-2-[3-(quinolin-2-ylmethoxy)phenyl]ethyl]-3-methylurea.

Molecular Properties

Compound Name1-[(2R)-2-hydroxy-2-[3-(quinolin-2-ylmethoxy)phenyl]ethyl]-3-methylurea
PubChem CID14675600
Molecular FormulaC20H21N3O3
Molecular Weight351.41 g/mol
Exact Mass351.16
IUPAC Name1-[(2R)-2-hydroxy-2-[3-(quinolin-2-ylmethoxy)phenyl]ethyl]-3-methylurea
SMILESCNC(=O)NC[C@H](O)c1cccc(OCc2ccc3ccccc3n2)c1
InChIInChI=1S/C20H21N3O3/c1-21-20(25)22-12-19(24)15-6-4-7-17(11-15)26-13-16-10-9-14-5-2-3-8-18(14)23-16/h2-11,19,24H,12-13H2,1H3,(H2,21,22,25)/t19-/m0/s1
InChIKeyPULHQSBEIGXMRJ-IBGZPJMESA-N
XLogP2.78
TPSA83.48 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.41
LogP ≤ 52.78
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

2-[methyl(prop-2-ynyl)amino]-1-[3-(quinolin-2-ylmethoxy)phenyl]ethanol
CID 14675604
1-[3-(quinolin-2-ylmethoxy)phenyl]hexane-1,2-diol
CID 21280540
6-(3-chlorophenoxy)-1-[3-(quinolin-2-ylmethoxy)phenyl]hexan-1-ol
CID 14349139
(2S)-2-phenyl-2-[3-(quinolin-2-ylmethoxy)anilino]acetic acid
CID 57268488
2-methyl-1-[3-(quinolin-2-ylmethoxy)phenyl]hexan-1-ol
CID 14349128
1-[3-(quinolin-2-ylmethoxy)phenyl]-6-[3-(trifluoromethyl)phenoxy]hexan-1-ol
CID 21280483
1,1-dimethyl-3-[3-(quinolin-2-ylmethoxy)phenyl]urea
CID 67888713
acetamide;3-[[3-(quinolin-2-ylmethoxy)phenyl]methyl]benzoic acid
CID 22616056
2-[2-[[3-(quinolin-2-ylmethoxy)phenoxy]methyl]phenyl]acetic acid
CID 22241469
2-[[3-[(2-ethylphenyl)methoxy]phenoxy]methyl]quinoline
CID 18727386
[3-(quinolin-2-ylmethoxy)phenyl]boronic acid
CID 43327889
2-[[3-(bromomethyl)phenoxy]methyl]quinoline
CID 43324683

Frequently Asked Questions

What is the IUPAC name of 1-[(2R)-2-hydroxy-2-[3-(quinolin-2-ylmethoxy)phenyl]ethyl]-3-methylurea?
The IUPAC name of 1-[(2R)-2-hydroxy-2-[3-(quinolin-2-ylmethoxy)phenyl]ethyl]-3-methylurea (CID 14675600) is 1-[(2R)-2-hydroxy-2-[3-(quinolin-2-ylmethoxy)phenyl]ethyl]-3-methylurea.
What is the SMILES notation for 1-[(2R)-2-hydroxy-2-[3-(quinolin-2-ylmethoxy)phenyl]ethyl]-3-methylurea?
The canonical SMILES for 1-[(2R)-2-hydroxy-2-[3-(quinolin-2-ylmethoxy)phenyl]ethyl]-3-methylurea is CNC(=O)NC[C@H](O)c1cccc(OCc2ccc3ccccc3n2)c1.
What is the InChIKey of 1-[(2R)-2-hydroxy-2-[3-(quinolin-2-ylmethoxy)phenyl]ethyl]-3-methylurea?
The InChIKey is PULHQSBEIGXMRJ-IBGZPJMESA-N. The full InChI is InChI=1S/C20H21N3O3/c1-21-20(25)22-12-19(24)15-6-4-7-17(11-15)26-13-16-10-9-14-5-2-3-8-18(14)23-16/h2-11,19,24H,12-13H2,1H3,(H2,21,22,25)/t19-/m0/s1.
What are the key properties of 1-[(2R)-2-hydroxy-2-[3-(quinolin-2-ylmethoxy)phenyl]ethyl]-3-methylurea?
1-[(2R)-2-hydroxy-2-[3-(quinolin-2-ylmethoxy)phenyl]ethyl]-3-methylurea has a molecular weight of 351.41 g/mol, XLogP of 2.78, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2R)-2-hydroxy-2-[3-(quinolin-2-ylmethoxy)phenyl]ethyl]-3-methylurea is sourced from PubChem (CID 14675600), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).