1-quinolin-3-yl-3-(3-trimethoxysilylpropyl)urea

C16H23N3O4Si — CID 140892825

IUPAC1-quinolin-3-yl-3-(3-trimethoxysilylpropyl)urea
SMILESCO[Si](CCCNC(=O)Nc1cnc2ccccc2c1)(OC)OC
InChIInChI=1S/C16H23N3O4Si/c1-21-24(22-2,23-3)10-6-9-17-16(20)19-14-11-13-7-4-5-8-15(13)18-12-14/h4-5,7-8,11-12H,6,9-10H2,1-3H3,(H2,17,19,20)
InChIKeyHKOPHRSSHBAJLX-UHFFFAOYSA-N
MW349.46 g/mol
LogP2.62
Rot. Bonds8

About 1-quinolin-3-yl-3-(3-trimethoxysilylpropyl)urea

1-quinolin-3-yl-3-(3-trimethoxysilylpropyl)urea (PubChem CID 140892825) has the molecular formula C16H23N3O4Si and a molecular weight of 349.46 g/mol. Its IUPAC name is 1-quinolin-3-yl-3-(3-trimethoxysilylpropyl)urea.

Molecular Properties

Compound Name1-quinolin-3-yl-3-(3-trimethoxysilylpropyl)urea
PubChem CID140892825
Molecular FormulaC16H23N3O4Si
Molecular Weight349.46 g/mol
Exact Mass349.15
IUPAC Name1-quinolin-3-yl-3-(3-trimethoxysilylpropyl)urea
SMILESCO[Si](CCCNC(=O)Nc1cnc2ccccc2c1)(OC)OC
InChIInChI=1S/C16H23N3O4Si/c1-21-24(22-2,23-3)10-6-9-17-16(20)19-14-11-13-7-4-5-8-15(13)18-12-14/h4-5,7-8,11-12H,6,9-10H2,1-3H3,(H2,17,19,20)
InChIKeyHKOPHRSSHBAJLX-UHFFFAOYSA-N
XLogP2.62
TPSA81.71 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.46
LogP ≤ 52.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

1-(2-methoxyethyl)-3-quinolin-3-ylurea
CID 175700628
1-(3,5-dimethoxyphenyl)-3-quinolin-3-ylurea
CID 16645779
methyl N-quinolin-3-ylcarbamate
CID 19697860
1-quinolin-3-yl-3-(3,4,5-trimethoxyphenyl)urea
CID 16645769
2-chloro-N-(quinolin-3-ylcarbamoyl)acetamide
CID 62806519
1-(naphthalen-1-ylmethyl)-3-quinolin-3-ylurea
CID 175700641
2,4,5-trimethoxy-N-quinolin-3-ylbenzamide
CID 18146468
(2R)-2-(quinolin-3-ylcarbamoylamino)propanoic acid
CID 78917504
1-(3,4-dichlorophenyl)-3-quinolin-3-ylurea
CID 2239305
4-(methoxymethyl)-N-quinolin-3-ylbenzamide
CID 18153378
1-(oxolan-2-ylmethyl)-3-quinolin-3-ylurea
CID 175700632
(2R)-2-(quinolin-3-ylcarbamoylamino)pentanoic acid
CID 107566857

Frequently Asked Questions

What is the IUPAC name of 1-quinolin-3-yl-3-(3-trimethoxysilylpropyl)urea?
The IUPAC name of 1-quinolin-3-yl-3-(3-trimethoxysilylpropyl)urea (CID 140892825) is 1-quinolin-3-yl-3-(3-trimethoxysilylpropyl)urea.
What is the SMILES notation for 1-quinolin-3-yl-3-(3-trimethoxysilylpropyl)urea?
The canonical SMILES for 1-quinolin-3-yl-3-(3-trimethoxysilylpropyl)urea is CO[Si](CCCNC(=O)Nc1cnc2ccccc2c1)(OC)OC.
What is the InChIKey of 1-quinolin-3-yl-3-(3-trimethoxysilylpropyl)urea?
The InChIKey is HKOPHRSSHBAJLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N3O4Si/c1-21-24(22-2,23-3)10-6-9-17-16(20)19-14-11-13-7-4-5-8-15(13)18-12-14/h4-5,7-8,11-12H,6,9-10H2,1-3H3,(H2,17,19,20).
What are the key properties of 1-quinolin-3-yl-3-(3-trimethoxysilylpropyl)urea?
1-quinolin-3-yl-3-(3-trimethoxysilylpropyl)urea has a molecular weight of 349.46 g/mol, XLogP of 2.62, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-quinolin-3-yl-3-(3-trimethoxysilylpropyl)urea is sourced from PubChem (CID 140892825), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).