quinoline;1,2,3,4-tetrahydrochrysene

C27H23N — CID 174331390

IUPACquinoline;1,2,3,4-tetrahydrochrysene
SMILESc1ccc2c(c1)ccc1c3c(ccc12)CCCC3.c1ccc2ncccc2c1
InChIInChI=1S/C18H16.C9H7N/c1-3-7-15-13(5-1)9-11-18-16-8-4-2-6-14(16)10-12-17(15)18;1-2-6-9-8(4-1)5-3-7-10-9/h1,3,5,7,9-12H,2,4,6,8H2;1-7H
InChIKeyGLRYHJHAVFOSGG-UHFFFAOYSA-N
MW361.49 g/mol
LogP7.11
Rot. Bonds

About quinoline;1,2,3,4-tetrahydrochrysene

quinoline;1,2,3,4-tetrahydrochrysene (PubChem CID 174331390) has the molecular formula C27H23N and a molecular weight of 361.49 g/mol. Its IUPAC name is quinoline;1,2,3,4-tetrahydrochrysene.

Molecular Properties

Compound Namequinoline;1,2,3,4-tetrahydrochrysene
PubChem CID174331390
Molecular FormulaC27H23N
Molecular Weight361.49 g/mol
Exact Mass361.18
IUPAC Namequinoline;1,2,3,4-tetrahydrochrysene
SMILESc1ccc2c(c1)ccc1c3c(ccc12)CCCC3.c1ccc2ncccc2c1
InChIInChI=1S/C18H16.C9H7N/c1-3-7-15-13(5-1)9-11-18-16-8-4-2-6-14(16)10-12-17(15)18;1-2-6-9-8(4-1)5-3-7-10-9/h1,3,5,7,9-12H,2,4,6,8H2;1-7H
InChIKeyGLRYHJHAVFOSGG-UHFFFAOYSA-N
XLogP7.11
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500361.49
LogP ≤ 57.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

Analyze quinoline;1,2,3,4-tetrahydrochrysene with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of quinoline;1,2,3,4-tetrahydrochrysene?
The IUPAC name of quinoline;1,2,3,4-tetrahydrochrysene (CID 174331390) is quinoline;1,2,3,4-tetrahydrochrysene.
What is the SMILES notation for quinoline;1,2,3,4-tetrahydrochrysene?
The canonical SMILES for quinoline;1,2,3,4-tetrahydrochrysene is c1ccc2c(c1)ccc1c3c(ccc12)CCCC3.c1ccc2ncccc2c1.
What is the InChIKey of quinoline;1,2,3,4-tetrahydrochrysene?
The InChIKey is GLRYHJHAVFOSGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16.C9H7N/c1-3-7-15-13(5-1)9-11-18-16-8-4-2-6-14(16)10-12-17(15)18;1-2-6-9-8(4-1)5-3-7-10-9/h1,3,5,7,9-12H,2,4,6,8H2;1-7H.
What are the key properties of quinoline;1,2,3,4-tetrahydrochrysene?
quinoline;1,2,3,4-tetrahydrochrysene has a molecular weight of 361.49 g/mol, XLogP of 7.11, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for quinoline;1,2,3,4-tetrahydrochrysene is sourced from PubChem (CID 174331390), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).