1,1-diethyl-3-quinolin-3-ylurea

C14H17N3O — CID 795670

IUPAC1,1-diethyl-3-quinolin-3-ylurea
SMILESCCN(CC)C(=O)Nc1cnc2ccccc2c1
InChIInChI=1S/C14H17N3O/c1-3-17(4-2)14(18)16-12-9-11-7-5-6-8-13(11)15-10-12/h5-10H,3-4H2,1-2H3,(H,16,18)
InChIKeyPRHJTFYVMMLJEO-UHFFFAOYSA-N
MW243.31 g/mol
LogP3.11
Rot. Bonds3

About 1,1-diethyl-3-quinolin-3-ylurea

1,1-diethyl-3-quinolin-3-ylurea (PubChem CID 795670) has the molecular formula C14H17N3O and a molecular weight of 243.31 g/mol. Its IUPAC name is 1,1-diethyl-3-quinolin-3-ylurea.

Molecular Properties

Compound Name1,1-diethyl-3-quinolin-3-ylurea
PubChem CID795670
Molecular FormulaC14H17N3O
Molecular Weight243.31 g/mol
Exact Mass243.14
IUPAC Name1,1-diethyl-3-quinolin-3-ylurea
SMILESCCN(CC)C(=O)Nc1cnc2ccccc2c1
InChIInChI=1S/C14H17N3O/c1-3-17(4-2)14(18)16-12-9-11-7-5-6-8-13(11)15-10-12/h5-10H,3-4H2,1-2H3,(H,16,18)
InChIKeyPRHJTFYVMMLJEO-UHFFFAOYSA-N
XLogP3.11
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.31
LogP ≤ 53.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 1,1-diethyl-3-quinolin-3-ylurea with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-Aminoquinoline
CID 11375
8-Aminoquinoline
CID 11359
3,5-Dihydro-5-methyl-N-3-pyridinylbenzo(1,2-b:4,5-b')dipyrrole-1(2H)-carboxamide
CID 5163
4-Aminoquinoline
CID 68476
PF-750
CID 25154868
1,3-Di-6-quinolylurea
CID 68281
4-Piperazin-1-yl-quinoline
CID 1534386
8-Quinolinamine, 4-methyl-
CID 97374
1-Methyl-3-quinolin-8-ylurea
CID 250561
Diethyl[4-(4-quinolylamino)pentyl]amine
CID 474865
Quinoline, 4-(2-diethylamino)ethylamino-
CID 10562205
Acetamide, 2,2,2-trifluoro-N-8-quinolinyl-
CID 148136

Frequently Asked Questions

What is the IUPAC name of 1,1-diethyl-3-quinolin-3-ylurea?
The IUPAC name of 1,1-diethyl-3-quinolin-3-ylurea (CID 795670) is 1,1-diethyl-3-quinolin-3-ylurea.
What is the SMILES notation for 1,1-diethyl-3-quinolin-3-ylurea?
The canonical SMILES for 1,1-diethyl-3-quinolin-3-ylurea is CCN(CC)C(=O)Nc1cnc2ccccc2c1.
What is the InChIKey of 1,1-diethyl-3-quinolin-3-ylurea?
The InChIKey is PRHJTFYVMMLJEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3O/c1-3-17(4-2)14(18)16-12-9-11-7-5-6-8-13(11)15-10-12/h5-10H,3-4H2,1-2H3,(H,16,18).
What are the key properties of 1,1-diethyl-3-quinolin-3-ylurea?
1,1-diethyl-3-quinolin-3-ylurea has a molecular weight of 243.31 g/mol, XLogP of 3.11, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1-diethyl-3-quinolin-3-ylurea is sourced from PubChem (CID 795670), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).