3,4-dihydro-2H-quinolin-1-ylurea

C10H13N3O — CID 19747645

IUPAC3,4-dihydro-2H-quinolin-1-ylurea
SMILESNC(=O)NN1CCCc2ccccc21
InChIInChI=1S/C10H13N3O/c11-10(14)12-13-7-3-5-8-4-1-2-6-9(8)13/h1-2,4,6H,3,5,7H2,(H3,11,12,14)
InChIKeyCYFSDBDAECVIBK-UHFFFAOYSA-N
MW191.23 g/mol
LogP1.02
Rot. Bonds1

About 3,4-dihydro-2H-quinolin-1-ylurea

3,4-dihydro-2H-quinolin-1-ylurea (PubChem CID 19747645) has the molecular formula C10H13N3O and a molecular weight of 191.23 g/mol. Its IUPAC name is 3,4-dihydro-2H-quinolin-1-ylurea.

Molecular Properties

Compound Name3,4-dihydro-2H-quinolin-1-ylurea
PubChem CID19747645
Molecular FormulaC10H13N3O
Molecular Weight191.23 g/mol
Exact Mass191.11
IUPAC Name3,4-dihydro-2H-quinolin-1-ylurea
SMILESNC(=O)NN1CCCc2ccccc21
InChIInChI=1S/C10H13N3O/c11-10(14)12-13-7-3-5-8-4-1-2-6-9(8)13/h1-2,4,6H,3,5,7H2,(H3,11,12,14)
InChIKeyCYFSDBDAECVIBK-UHFFFAOYSA-N
XLogP1.02
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.23
LogP ≤ 51.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2,3-dihydroindol-1-ylurea
CID 22353227
3,4-dihydro-2H-quinolin-1-ylcarbamic acid
CID 67189387
tert-butyl N-(3,4-dihydro-2H-quinolin-1-yl)carbamate
CID 150205749
N-(3,4-dihydro-2H-quinolin-1-yl)cyclohexanecarboxamide
CID 5028392
3-(3,4-dihydro-2H-quinolin-1-yl)-3-oxopropanethioamide
CID 43120466
[1-(3,4-dihydro-2H-quinolin-1-yl)-1-oxopropan-2-yl]urea
CID 47097542
3-benzyl-4-phenyl-N-(2,3,4,5-tetrahydro-1-benzazepin-1-yl)butanamide
CID 155295177
3-cyclopropyl-N-(3,4-dihydro-2H-quinolin-1-yl)-4,5-dihydro-1,2-oxazole-5-carboxamide
CID 155957462
2-(3,4-dihydro-2H-quinolin-1-yl)acetohydrazide
CID 2327118
3-(carbamoylamino)-N-[3-(3,4-dihydro-2H-quinolin-1-yl)-3-oxopropyl]propanamide
CID 154773989
2-(3,4-dihydro-2H-quinolin-1-yl)butanamide
CID 62901418
1-(3,4-dihydro-2H-quinolin-1-yl)ethanone;ethane
CID 143423489

Frequently Asked Questions

What is the IUPAC name of 3,4-dihydro-2H-quinolin-1-ylurea?
The IUPAC name of 3,4-dihydro-2H-quinolin-1-ylurea (CID 19747645) is 3,4-dihydro-2H-quinolin-1-ylurea.
What is the SMILES notation for 3,4-dihydro-2H-quinolin-1-ylurea?
The canonical SMILES for 3,4-dihydro-2H-quinolin-1-ylurea is NC(=O)NN1CCCc2ccccc21.
What is the InChIKey of 3,4-dihydro-2H-quinolin-1-ylurea?
The InChIKey is CYFSDBDAECVIBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13N3O/c11-10(14)12-13-7-3-5-8-4-1-2-6-9(8)13/h1-2,4,6H,3,5,7H2,(H3,11,12,14).
What are the key properties of 3,4-dihydro-2H-quinolin-1-ylurea?
3,4-dihydro-2H-quinolin-1-ylurea has a molecular weight of 191.23 g/mol, XLogP of 1.02, 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-ylurea is sourced from PubChem (CID 19747645), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).