4-(propan-2-ylcarbamoylamino)-N-(3-quinolin-8-yloxypropyl)benzamide

C23H26N4O3 — CID 56535262

IUPAC4-(propan-2-ylcarbamoylamino)-N-(3-quinolin-8-yloxypropyl)benzamide
SMILESCC(C)NC(=O)Nc1ccc(C(=O)NCCCOc2cccc3cccnc23)cc1
InChIInChI=1S/C23H26N4O3/c1-16(2)26-23(29)27-19-11-9-18(10-12-19)22(28)25-14-5-15-30-20-8-3-6-17-7-4-13-24-21(17)20/h3-4,6-13,16H,5,14-15H2,1-2H3,(H,25,28)(H2,26,27,29)
InChIKeyUWSCXAHKQZWTLR-UHFFFAOYSA-N
MW406.49 g/mol
LogP3.96
Rot. Bonds8

About 4-(propan-2-ylcarbamoylamino)-N-(3-quinolin-8-yloxypropyl)benzamide

4-(propan-2-ylcarbamoylamino)-N-(3-quinolin-8-yloxypropyl)benzamide (PubChem CID 56535262) has the molecular formula C23H26N4O3 and a molecular weight of 406.49 g/mol. Its IUPAC name is 4-(propan-2-ylcarbamoylamino)-N-(3-quinolin-8-yloxypropyl)benzamide.

Molecular Properties

Compound Name4-(propan-2-ylcarbamoylamino)-N-(3-quinolin-8-yloxypropyl)benzamide
PubChem CID56535262
Molecular FormulaC23H26N4O3
Molecular Weight406.49 g/mol
Exact Mass406.20
IUPAC Name4-(propan-2-ylcarbamoylamino)-N-(3-quinolin-8-yloxypropyl)benzamide
SMILESCC(C)NC(=O)Nc1ccc(C(=O)NCCCOc2cccc3cccnc23)cc1
InChIInChI=1S/C23H26N4O3/c1-16(2)26-23(29)27-19-11-9-18(10-12-19)22(28)25-14-5-15-30-20-8-3-6-17-7-4-13-24-21(17)20/h3-4,6-13,16H,5,14-15H2,1-2H3,(H,25,28)(H2,26,27,29)
InChIKeyUWSCXAHKQZWTLR-UHFFFAOYSA-N
XLogP3.96
TPSA92.35 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.49
LogP ≤ 53.96
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 4-(propan-2-ylcarbamoylamino)-N-(3-quinolin-8-yloxypropyl)benzamide 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

4-iodo-N-(3-quinolin-8-yloxypropyl)benzamide
CID 56535258
4-tert-butyl-N-[1-oxo-1-(3-quinolin-8-yloxypropylamino)propan-2-yl]benzamide
CID 56585451
4-fluoro-N-[4-oxo-4-(3-quinolin-8-yloxypropylamino)butyl]benzamide
CID 56543399
4-chloro-N-[4-oxo-4-(3-quinolin-8-yloxypropylamino)butyl]benzamide
CID 56535280
1-(4-ethoxyphenyl)-3-(2-quinolin-8-yloxyethyl)urea
CID 112976064
3-ethoxy-N-(3-quinolin-8-yloxypropyl)benzamide
CID 56534641
N-(2-quinolin-8-yloxyethyl)propan-2-amine
CID 29015226
1-butyl-3-(2-quinolin-8-yloxyethyl)urea
CID 112975943
N-[3-(methylamino)propyl]-4-(propan-2-ylcarbamoylamino)benzamide
CID 119432618
1-(3,4-dimethoxyphenyl)-3-(2-quinolin-8-yloxyethyl)urea
CID 112976070
1-[3-(dimethylamino)propyl]-3-(2-quinolin-8-yloxyethyl)urea
CID 112975958
2-phenylsulfanyl-N-(3-quinolin-8-yloxypropyl)propanamide
CID 56543299

Frequently Asked Questions

What is the IUPAC name of 4-(propan-2-ylcarbamoylamino)-N-(3-quinolin-8-yloxypropyl)benzamide?
The IUPAC name of 4-(propan-2-ylcarbamoylamino)-N-(3-quinolin-8-yloxypropyl)benzamide (CID 56535262) is 4-(propan-2-ylcarbamoylamino)-N-(3-quinolin-8-yloxypropyl)benzamide.
What is the SMILES notation for 4-(propan-2-ylcarbamoylamino)-N-(3-quinolin-8-yloxypropyl)benzamide?
The canonical SMILES for 4-(propan-2-ylcarbamoylamino)-N-(3-quinolin-8-yloxypropyl)benzamide is CC(C)NC(=O)Nc1ccc(C(=O)NCCCOc2cccc3cccnc23)cc1.
What is the InChIKey of 4-(propan-2-ylcarbamoylamino)-N-(3-quinolin-8-yloxypropyl)benzamide?
The InChIKey is UWSCXAHKQZWTLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26N4O3/c1-16(2)26-23(29)27-19-11-9-18(10-12-19)22(28)25-14-5-15-30-20-8-3-6-17-7-4-13-24-21(17)20/h3-4,6-13,16H,5,14-15H2,1-2H3,(H,25,28)(H2,26,27,29).
What are the key properties of 4-(propan-2-ylcarbamoylamino)-N-(3-quinolin-8-yloxypropyl)benzamide?
4-(propan-2-ylcarbamoylamino)-N-(3-quinolin-8-yloxypropyl)benzamide has a molecular weight of 406.49 g/mol, XLogP of 3.96, 8 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(propan-2-ylcarbamoylamino)-N-(3-quinolin-8-yloxypropyl)benzamide is sourced from PubChem (CID 56535262), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).