1-[(4E)-4-(2,3-dihydro-1H-imidazol-4-ylmethylidene)-2,3,4a,5,8,8a-hexahydro-1H-quinolin-6-yl]-1,3-dimethylurea

C16H25N5O — CID 70989828

IUPAC1-[(4E)-4-(2,3-dihydro-1H-imidazol-4-ylmethylidene)-2,3,4a,5,8,8a-hexahydro-1H-quinolin-6-yl]-1,3-dimethylurea
SMILESCNC(=O)N(C)C1=CCC2NCC/C(=C\C3=CNCN3)C2C1
InChIInChI=1S/C16H25N5O/c1-17-16(22)21(2)13-3-4-15-14(8-13)11(5-6-19-15)7-12-9-18-10-20-12/h3,7,9,14-15,18-20H,4-6,8,10H2,1-2H3,(H,17,22)/b11-7+
InChIKeyIODFTQFZSXCIHJ-YRNVUSSQSA-N
MW303.41 g/mol
LogP0.83
Rot. Bonds2

About 1-[(4E)-4-(2,3-dihydro-1H-imidazol-4-ylmethylidene)-2,3,4a,5,8,8a-hexahydro-1H-quinolin-6-yl]-1,3-dimethylurea

1-[(4E)-4-(2,3-dihydro-1H-imidazol-4-ylmethylidene)-2,3,4a,5,8,8a-hexahydro-1H-quinolin-6-yl]-1,3-dimethylurea (PubChem CID 70989828) has the molecular formula C16H25N5O and a molecular weight of 303.41 g/mol. Its IUPAC name is 1-[(4E)-4-(2,3-dihydro-1H-imidazol-4-ylmethylidene)-2,3,4a,5,8,8a-hexahydro-1H-quinolin-6-yl]-1,3-dimethylurea.

Molecular Properties

Compound Name1-[(4E)-4-(2,3-dihydro-1H-imidazol-4-ylmethylidene)-2,3,4a,5,8,8a-hexahydro-1H-quinolin-6-yl]-1,3-dimethylurea
PubChem CID70989828
Molecular FormulaC16H25N5O
Molecular Weight303.41 g/mol
Exact Mass303.21
IUPAC Name1-[(4E)-4-(2,3-dihydro-1H-imidazol-4-ylmethylidene)-2,3,4a,5,8,8a-hexahydro-1H-quinolin-6-yl]-1,3-dimethylurea
SMILESCNC(=O)N(C)C1=CCC2NCC/C(=C\C3=CNCN3)C2C1
InChIInChI=1S/C16H25N5O/c1-17-16(22)21(2)13-3-4-15-14(8-13)11(5-6-19-15)7-12-9-18-10-20-12/h3,7,9,14-15,18-20H,4-6,8,10H2,1-2H3,(H,17,22)/b11-7+
InChIKeyIODFTQFZSXCIHJ-YRNVUSSQSA-N
XLogP0.83
TPSA68.43 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.41
LogP ≤ 50.83
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Analyze 1-[(4E)-4-(2,3-dihydro-1H-imidazol-4-ylmethylidene)-2,3,4a,5,8,8a-hexahydro-1H-quinolin-6-yl]-1,3-dimethylurea with MolForge

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Frequently Asked Questions

What is the IUPAC name of 1-[(4E)-4-(2,3-dihydro-1H-imidazol-4-ylmethylidene)-2,3,4a,5,8,8a-hexahydro-1H-quinolin-6-yl]-1,3-dimethylurea?
The IUPAC name of 1-[(4E)-4-(2,3-dihydro-1H-imidazol-4-ylmethylidene)-2,3,4a,5,8,8a-hexahydro-1H-quinolin-6-yl]-1,3-dimethylurea (CID 70989828) is 1-[(4E)-4-(2,3-dihydro-1H-imidazol-4-ylmethylidene)-2,3,4a,5,8,8a-hexahydro-1H-quinolin-6-yl]-1,3-dimethylurea.
What is the SMILES notation for 1-[(4E)-4-(2,3-dihydro-1H-imidazol-4-ylmethylidene)-2,3,4a,5,8,8a-hexahydro-1H-quinolin-6-yl]-1,3-dimethylurea?
The canonical SMILES for 1-[(4E)-4-(2,3-dihydro-1H-imidazol-4-ylmethylidene)-2,3,4a,5,8,8a-hexahydro-1H-quinolin-6-yl]-1,3-dimethylurea is CNC(=O)N(C)C1=CCC2NCC/C(=C\C3=CNCN3)C2C1.
What is the InChIKey of 1-[(4E)-4-(2,3-dihydro-1H-imidazol-4-ylmethylidene)-2,3,4a,5,8,8a-hexahydro-1H-quinolin-6-yl]-1,3-dimethylurea?
The InChIKey is IODFTQFZSXCIHJ-YRNVUSSQSA-N. The full InChI is InChI=1S/C16H25N5O/c1-17-16(22)21(2)13-3-4-15-14(8-13)11(5-6-19-15)7-12-9-18-10-20-12/h3,7,9,14-15,18-20H,4-6,8,10H2,1-2H3,(H,17,22)/b11-7+.
What are the key properties of 1-[(4E)-4-(2,3-dihydro-1H-imidazol-4-ylmethylidene)-2,3,4a,5,8,8a-hexahydro-1H-quinolin-6-yl]-1,3-dimethylurea?
1-[(4E)-4-(2,3-dihydro-1H-imidazol-4-ylmethylidene)-2,3,4a,5,8,8a-hexahydro-1H-quinolin-6-yl]-1,3-dimethylurea has a molecular weight of 303.41 g/mol, XLogP of 0.83, 2 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4E)-4-(2,3-dihydro-1H-imidazol-4-ylmethylidene)-2,3,4a,5,8,8a-hexahydro-1H-quinolin-6-yl]-1,3-dimethylurea is sourced from PubChem (CID 70989828), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).