1-(8-hydroxyquinolin-7-yl)-3-[(1S)-1-phenylethyl]urea

C18H17N3O2 — CID 101117639

IUPAC1-(8-hydroxyquinolin-7-yl)-3-[(1S)-1-phenylethyl]urea
SMILESC[C@H](NC(=O)Nc1ccc2cccnc2c1O)c1ccccc1
InChIInChI=1S/C18H17N3O2/c1-12(13-6-3-2-4-7-13)20-18(23)21-15-10-9-14-8-5-11-19-16(14)17(15)22/h2-12,22H,1H3,(H2,20,21,23)/t12-/m0/s1
InChIKeyPMTLCIWWISJAIS-LBPRGKRZSA-N
MW307.35 g/mol
LogP3.82
Rot. Bonds3

About 1-(8-hydroxyquinolin-7-yl)-3-[(1S)-1-phenylethyl]urea

1-(8-hydroxyquinolin-7-yl)-3-[(1S)-1-phenylethyl]urea (PubChem CID 101117639) has the molecular formula C18H17N3O2 and a molecular weight of 307.35 g/mol. Its IUPAC name is 1-(8-hydroxyquinolin-7-yl)-3-[(1S)-1-phenylethyl]urea.

Molecular Properties

Compound Name1-(8-hydroxyquinolin-7-yl)-3-[(1S)-1-phenylethyl]urea
PubChem CID101117639
Molecular FormulaC18H17N3O2
Molecular Weight307.35 g/mol
Exact Mass307.13
IUPAC Name1-(8-hydroxyquinolin-7-yl)-3-[(1S)-1-phenylethyl]urea
SMILESC[C@H](NC(=O)Nc1ccc2cccnc2c1O)c1ccccc1
InChIInChI=1S/C18H17N3O2/c1-12(13-6-3-2-4-7-13)20-18(23)21-15-10-9-14-8-5-11-19-16(14)17(15)22/h2-12,22H,1H3,(H2,20,21,23)/t12-/m0/s1
InChIKeyPMTLCIWWISJAIS-LBPRGKRZSA-N
XLogP3.82
TPSA74.25 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.35
LogP ≤ 53.82
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'catechol', 'substructure': 'N/A'}

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Related Compounds

1-(8-methylquinolin-5-yl)-3-[(1S)-1-phenylethyl]urea
CID 51945829
1-(8-hydroxyquinolin-7-yl)-3-[2-(trifluoromethyl)phenyl]urea
CID 67279636
N-(1-phenylethyl)quinoline-8-carboxamide
CID 51180563
1-[2-(2-tert-butylphenoxy)-3-pyridinyl]-3-(1-phenylethyl)urea
CID 68530343
1-(2-methylphenyl)-3-(1-phenylethyl)urea
CID 19165597
5-N-(1-phenylethyl)-3-N-quinolin-8-ylpyridine-3,5-dicarboxamide
CID 109105406
1-naphthalen-2-yl-3-(1-phenylethyl)urea
CID 78400043
(2R,3S)-2,3-diphenyl-N-quinolin-8-ylbutanamide
CID 132555346
1-[6-methyl-1-[6-methyl-2-[[(1R)-1-phenylethyl]carbamoylamino]naphthalen-1-yl]naphthalen-2-yl]-3-[(1R)-1-phenylethyl]urea
CID 101486362
1-[(1S)-2-methylsulfonyl-1-phenylethyl]-3-quinolin-8-ylurea
CID 97000980
1-(2-fluorophenyl)-3-[(1S)-1-phenylethyl]urea
CID 6995379
N-(8-hydroxyquinolin-7-yl)nonanamide
CID 102278514

Frequently Asked Questions

What is the IUPAC name of 1-(8-hydroxyquinolin-7-yl)-3-[(1S)-1-phenylethyl]urea?
The IUPAC name of 1-(8-hydroxyquinolin-7-yl)-3-[(1S)-1-phenylethyl]urea (CID 101117639) is 1-(8-hydroxyquinolin-7-yl)-3-[(1S)-1-phenylethyl]urea.
What is the SMILES notation for 1-(8-hydroxyquinolin-7-yl)-3-[(1S)-1-phenylethyl]urea?
The canonical SMILES for 1-(8-hydroxyquinolin-7-yl)-3-[(1S)-1-phenylethyl]urea is C[C@H](NC(=O)Nc1ccc2cccnc2c1O)c1ccccc1.
What is the InChIKey of 1-(8-hydroxyquinolin-7-yl)-3-[(1S)-1-phenylethyl]urea?
The InChIKey is PMTLCIWWISJAIS-LBPRGKRZSA-N. The full InChI is InChI=1S/C18H17N3O2/c1-12(13-6-3-2-4-7-13)20-18(23)21-15-10-9-14-8-5-11-19-16(14)17(15)22/h2-12,22H,1H3,(H2,20,21,23)/t12-/m0/s1.
What are the key properties of 1-(8-hydroxyquinolin-7-yl)-3-[(1S)-1-phenylethyl]urea?
1-(8-hydroxyquinolin-7-yl)-3-[(1S)-1-phenylethyl]urea has a molecular weight of 307.35 g/mol, XLogP of 3.82, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(8-hydroxyquinolin-7-yl)-3-[(1S)-1-phenylethyl]urea is sourced from PubChem (CID 101117639), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).