1-[[2-(3,4-dihydro-2H-quinolin-1-yl)acetyl]amino]-3-(4-methylphenyl)sulfonylurea

C19H22N4O4S — CID 2330130

IUPAC1-[[2-(3,4-dihydro-2H-quinolin-1-yl)acetyl]amino]-3-(4-methylphenyl)sulfonylurea
SMILESCc1ccc(S(=O)(=O)NC(=O)NNC(=O)CN2CCCc3ccccc32)cc1
InChIInChI=1S/C19H22N4O4S/c1-14-8-10-16(11-9-14)28(26,27)22-19(25)21-20-18(24)13-23-12-4-6-15-5-2-3-7-17(15)23/h2-3,5,7-11H,4,6,12-13H2,1H3,(H,20,24)(H2,21,22,25)
InChIKeyDGJYNUUVJPTOKS-UHFFFAOYSA-N
MW402.48 g/mol
LogP1.47
Rot. Bonds4

About 1-[[2-(3,4-dihydro-2H-quinolin-1-yl)acetyl]amino]-3-(4-methylphenyl)sulfonylurea

1-[[2-(3,4-dihydro-2H-quinolin-1-yl)acetyl]amino]-3-(4-methylphenyl)sulfonylurea (PubChem CID 2330130) has the molecular formula C19H22N4O4S and a molecular weight of 402.48 g/mol. Its IUPAC name is 1-[[2-(3,4-dihydro-2H-quinolin-1-yl)acetyl]amino]-3-(4-methylphenyl)sulfonylurea.

Molecular Properties

Compound Name1-[[2-(3,4-dihydro-2H-quinolin-1-yl)acetyl]amino]-3-(4-methylphenyl)sulfonylurea
PubChem CID2330130
Molecular FormulaC19H22N4O4S
Molecular Weight402.48 g/mol
Exact Mass402.14
IUPAC Name1-[[2-(3,4-dihydro-2H-quinolin-1-yl)acetyl]amino]-3-(4-methylphenyl)sulfonylurea
SMILESCc1ccc(S(=O)(=O)NC(=O)NNC(=O)CN2CCCc3ccccc32)cc1
InChIInChI=1S/C19H22N4O4S/c1-14-8-10-16(11-9-14)28(26,27)22-19(25)21-20-18(24)13-23-12-4-6-15-5-2-3-7-17(15)23/h2-3,5,7-11H,4,6,12-13H2,1H3,(H,20,24)(H2,21,22,25)
InChIKeyDGJYNUUVJPTOKS-UHFFFAOYSA-N
XLogP1.47
TPSA107.61 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.48
LogP ≤ 51.47
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

1-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]-3-(4-methylphenyl)sulfonylurea
CID 110370826
2-(3,4-dihydro-2H-quinolin-1-yl)-N'-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonyl)acetohydrazide
CID 8614282
1-[[2-(3,4-dihydro-2H-quinolin-1-yl)acetyl]amino]-3-(4-methylphenyl)thiourea
CID 8659384
N'-[2-(3,4-dihydro-2H-quinolin-1-yl)acetyl]-2-phenylacetohydrazide
CID 7923496
1-[[2-(3,4-dihydro-2H-quinolin-1-yl)acetyl]amino]-3-methylthiourea
CID 8659375
(3R)-N'-[2-(3,4-dihydro-2H-quinolin-1-yl)acetyl]-4,4,4-trifluoro-3-hydroxy-3-methylbutanehydrazide
CID 8969590
N'-[2-(3,4-dihydro-2H-quinolin-1-yl)acetyl]hexanehydrazide
CID 38707921
2-[2-[2-[2-(3,4-dihydro-2H-quinolin-1-yl)acetyl]hydrazinyl]-2-oxoethyl]sulfanyl-N-(3-methylphenyl)acetamide
CID 26853830
2-(3,4-dihydro-2H-quinolin-1-yl)-N'-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]acetohydrazide
CID 8614287
2-(3,4-dihydro-2H-quinolin-1-yl)acetohydrazide
CID 2327118
3-tert-butyl-N'-[2-(3,4-dihydro-2H-quinolin-1-yl)acetyl]-1-methylpyrazole-5-carbohydrazide
CID 78894028
N'-[2-(3,4-dihydro-2H-quinolin-1-yl)acetyl]-4-ethylbenzohydrazide
CID 26853955

Frequently Asked Questions

What is the IUPAC name of 1-[[2-(3,4-dihydro-2H-quinolin-1-yl)acetyl]amino]-3-(4-methylphenyl)sulfonylurea?
The IUPAC name of 1-[[2-(3,4-dihydro-2H-quinolin-1-yl)acetyl]amino]-3-(4-methylphenyl)sulfonylurea (CID 2330130) is 1-[[2-(3,4-dihydro-2H-quinolin-1-yl)acetyl]amino]-3-(4-methylphenyl)sulfonylurea.
What is the SMILES notation for 1-[[2-(3,4-dihydro-2H-quinolin-1-yl)acetyl]amino]-3-(4-methylphenyl)sulfonylurea?
The canonical SMILES for 1-[[2-(3,4-dihydro-2H-quinolin-1-yl)acetyl]amino]-3-(4-methylphenyl)sulfonylurea is Cc1ccc(S(=O)(=O)NC(=O)NNC(=O)CN2CCCc3ccccc32)cc1.
What is the InChIKey of 1-[[2-(3,4-dihydro-2H-quinolin-1-yl)acetyl]amino]-3-(4-methylphenyl)sulfonylurea?
The InChIKey is DGJYNUUVJPTOKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N4O4S/c1-14-8-10-16(11-9-14)28(26,27)22-19(25)21-20-18(24)13-23-12-4-6-15-5-2-3-7-17(15)23/h2-3,5,7-11H,4,6,12-13H2,1H3,(H,20,24)(H2,21,22,25).
What are the key properties of 1-[[2-(3,4-dihydro-2H-quinolin-1-yl)acetyl]amino]-3-(4-methylphenyl)sulfonylurea?
1-[[2-(3,4-dihydro-2H-quinolin-1-yl)acetyl]amino]-3-(4-methylphenyl)sulfonylurea has a molecular weight of 402.48 g/mol, XLogP of 1.47, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[2-(3,4-dihydro-2H-quinolin-1-yl)acetyl]amino]-3-(4-methylphenyl)sulfonylurea is sourced from PubChem (CID 2330130), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).