3,4-dihydro-2H-quinolin-1-ylcarbamic acid

C10H12N2O2 — CID 67189387

IUPAC3,4-dihydro-2H-quinolin-1-ylcarbamic acid
SMILESO=C(O)NN1CCCc2ccccc21
InChIInChI=1S/C10H12N2O2/c13-10(14)11-12-7-3-5-8-4-1-2-6-9(8)12/h1-2,4,6,11H,3,5,7H2,(H,13,14)
InChIKeyKHPQNSBWUUIZBI-UHFFFAOYSA-N
MW192.22 g/mol
LogP1.62
Rot. Bonds1

About 3,4-dihydro-2H-quinolin-1-ylcarbamic acid

3,4-dihydro-2H-quinolin-1-ylcarbamic acid (PubChem CID 67189387) has the molecular formula C10H12N2O2 and a molecular weight of 192.22 g/mol. Its IUPAC name is 3,4-dihydro-2H-quinolin-1-ylcarbamic acid.

Molecular Properties

Compound Name3,4-dihydro-2H-quinolin-1-ylcarbamic acid
PubChem CID67189387
Molecular FormulaC10H12N2O2
Molecular Weight192.22 g/mol
Exact Mass192.09
IUPAC Name3,4-dihydro-2H-quinolin-1-ylcarbamic acid
SMILESO=C(O)NN1CCCc2ccccc21
InChIInChI=1S/C10H12N2O2/c13-10(14)11-12-7-3-5-8-4-1-2-6-9(8)12/h1-2,4,6,11H,3,5,7H2,(H,13,14)
InChIKeyKHPQNSBWUUIZBI-UHFFFAOYSA-N
XLogP1.62
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.22
LogP ≤ 51.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

3,4-dihydro-2H-quinolin-1-ylurea
CID 19747645
N-(3,4-dihydro-2H-quinolin-1-yl)cyclohexanecarboxamide
CID 5028392
tert-butyl N-(3,4-dihydro-2H-quinolin-1-yl)carbamate
CID 150205749
2,3-dihydroindol-1-ylurea
CID 22353227
3-benzyl-4-phenyl-N-(2,3,4,5-tetrahydro-1-benzazepin-1-yl)butanamide
CID 155295177
cyclopropane;3,4-dihydro-1H-isoquinolin-2-ylcarbamic acid
CID 159033782
3-cyclopropyl-N-(3,4-dihydro-2H-quinolin-1-yl)-4,5-dihydro-1,2-oxazole-5-carboxamide
CID 155957462
[(2R)-1-(3,4-dihydro-2H-quinolin-1-yl)-1-oxopropan-2-yl]carbamic acid
CID 70362593
2,3,4,5-tetrahydro-1-benzazepine-1-carboxylic acid
CID 90953923
1-(3,4-dihydro-2H-quinolin-1-yl)ethanone;ethane
CID 143423489
(2R)-2-(3,4-dihydro-2H-quinolin-1-yl)propanoic acid
CID 42223767
ethane;1-methyl-3,4-dihydro-2H-quinoline
CID 91236662

Frequently Asked Questions

What is the IUPAC name of 3,4-dihydro-2H-quinolin-1-ylcarbamic acid?
The IUPAC name of 3,4-dihydro-2H-quinolin-1-ylcarbamic acid (CID 67189387) is 3,4-dihydro-2H-quinolin-1-ylcarbamic acid.
What is the SMILES notation for 3,4-dihydro-2H-quinolin-1-ylcarbamic acid?
The canonical SMILES for 3,4-dihydro-2H-quinolin-1-ylcarbamic acid is O=C(O)NN1CCCc2ccccc21.
What is the InChIKey of 3,4-dihydro-2H-quinolin-1-ylcarbamic acid?
The InChIKey is KHPQNSBWUUIZBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12N2O2/c13-10(14)11-12-7-3-5-8-4-1-2-6-9(8)12/h1-2,4,6,11H,3,5,7H2,(H,13,14).
What are the key properties of 3,4-dihydro-2H-quinolin-1-ylcarbamic acid?
3,4-dihydro-2H-quinolin-1-ylcarbamic acid has a molecular weight of 192.22 g/mol, XLogP of 1.62, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-dihydro-2H-quinolin-1-ylcarbamic acid is sourced from PubChem (CID 67189387), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).