1-(3-cyclobutyl-1,2,4,5-tetrahydro-3-benzazepin-7-yl)-1-quinolin-8-ylurea

C24H26N4O — CID 69180417

IUPAC1-(3-cyclobutyl-1,2,4,5-tetrahydro-3-benzazepin-7-yl)-1-quinolin-8-ylurea
SMILESNC(=O)N(c1ccc2c(c1)CCN(C1CCC1)CC2)c1cccc2cccnc12
InChIInChI=1S/C24H26N4O/c25-24(29)28(22-8-1-4-18-5-3-13-26-23(18)22)21-10-9-17-11-14-27(20-6-2-7-20)15-12-19(17)16-21/h1,3-5,8-10,13,16,20H,2,6-7,11-12,14-15H2,(H2,25,29)
InChIKeyQJURBXQCLGACRM-UHFFFAOYSA-N
MW386.50 g/mol
LogP4.40
Rot. Bonds3

About 1-(3-cyclobutyl-1,2,4,5-tetrahydro-3-benzazepin-7-yl)-1-quinolin-8-ylurea

1-(3-cyclobutyl-1,2,4,5-tetrahydro-3-benzazepin-7-yl)-1-quinolin-8-ylurea (PubChem CID 69180417) has the molecular formula C24H26N4O and a molecular weight of 386.50 g/mol. Its IUPAC name is 1-(3-cyclobutyl-1,2,4,5-tetrahydro-3-benzazepin-7-yl)-1-quinolin-8-ylurea.

Molecular Properties

Compound Name1-(3-cyclobutyl-1,2,4,5-tetrahydro-3-benzazepin-7-yl)-1-quinolin-8-ylurea
PubChem CID69180417
Molecular FormulaC24H26N4O
Molecular Weight386.50 g/mol
Exact Mass386.21
IUPAC Name1-(3-cyclobutyl-1,2,4,5-tetrahydro-3-benzazepin-7-yl)-1-quinolin-8-ylurea
SMILESNC(=O)N(c1ccc2c(c1)CCN(C1CCC1)CC2)c1cccc2cccnc12
InChIInChI=1S/C24H26N4O/c25-24(29)28(22-8-1-4-18-5-3-13-26-23(18)22)21-10-9-17-11-14-27(20-6-2-7-20)15-12-19(17)16-21/h1,3-5,8-10,13,16,20H,2,6-7,11-12,14-15H2,(H2,25,29)
InChIKeyQJURBXQCLGACRM-UHFFFAOYSA-N
XLogP4.40
TPSA62.46 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.50
LogP ≤ 54.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(3-cyclobutyl-1,2,4,5-tetrahydro-3-benzazepin-7-yl)-1-quinolin-8-ylurea?
The IUPAC name of 1-(3-cyclobutyl-1,2,4,5-tetrahydro-3-benzazepin-7-yl)-1-quinolin-8-ylurea (CID 69180417) is 1-(3-cyclobutyl-1,2,4,5-tetrahydro-3-benzazepin-7-yl)-1-quinolin-8-ylurea.
What is the SMILES notation for 1-(3-cyclobutyl-1,2,4,5-tetrahydro-3-benzazepin-7-yl)-1-quinolin-8-ylurea?
The canonical SMILES for 1-(3-cyclobutyl-1,2,4,5-tetrahydro-3-benzazepin-7-yl)-1-quinolin-8-ylurea is NC(=O)N(c1ccc2c(c1)CCN(C1CCC1)CC2)c1cccc2cccnc12.
What is the InChIKey of 1-(3-cyclobutyl-1,2,4,5-tetrahydro-3-benzazepin-7-yl)-1-quinolin-8-ylurea?
The InChIKey is QJURBXQCLGACRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26N4O/c25-24(29)28(22-8-1-4-18-5-3-13-26-23(18)22)21-10-9-17-11-14-27(20-6-2-7-20)15-12-19(17)16-21/h1,3-5,8-10,13,16,20H,2,6-7,11-12,14-15H2,(H2,25,29).
What are the key properties of 1-(3-cyclobutyl-1,2,4,5-tetrahydro-3-benzazepin-7-yl)-1-quinolin-8-ylurea?
1-(3-cyclobutyl-1,2,4,5-tetrahydro-3-benzazepin-7-yl)-1-quinolin-8-ylurea has a molecular weight of 386.50 g/mol, XLogP of 4.40, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-cyclobutyl-1,2,4,5-tetrahydro-3-benzazepin-7-yl)-1-quinolin-8-ylurea is sourced from PubChem (CID 69180417), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).