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

C28H25N — CID 174893501

IUPAC1-methyl-1,2,3,4-tetrahydrochrysene;quinoline
SMILESCC1CCCc2c1ccc1c2ccc2ccccc21.c1ccc2ncccc2c1
InChIInChI=1S/C19H18.C9H7N/c1-13-5-4-8-17-15(13)11-12-18-16-7-3-2-6-14(16)9-10-19(17)18;1-2-6-9-8(4-1)5-3-7-10-9/h2-3,6-7,9-13H,4-5,8H2,1H3;1-7H
InChIKeyKUOBZISFWLJEDH-UHFFFAOYSA-N
MW375.52 g/mol
LogP7.67
Rot. Bonds

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

1-methyl-1,2,3,4-tetrahydrochrysene;quinoline (PubChem CID 174893501) has the molecular formula C28H25N and a molecular weight of 375.52 g/mol. Its IUPAC name is 1-methyl-1,2,3,4-tetrahydrochrysene;quinoline.

Molecular Properties

Compound Name1-methyl-1,2,3,4-tetrahydrochrysene;quinoline
PubChem CID174893501
Molecular FormulaC28H25N
Molecular Weight375.52 g/mol
Exact Mass375.20
IUPAC Name1-methyl-1,2,3,4-tetrahydrochrysene;quinoline
SMILESCC1CCCc2c1ccc1c2ccc2ccccc21.c1ccc2ncccc2c1
InChIInChI=1S/C19H18.C9H7N/c1-13-5-4-8-17-15(13)11-12-18-16-7-3-2-6-14(16)9-10-19(17)18;1-2-6-9-8(4-1)5-3-7-10-9/h2-3,6-7,9-13H,4-5,8H2,1H3;1-7H
InChIKeyKUOBZISFWLJEDH-UHFFFAOYSA-N
XLogP7.67
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500375.52
LogP ≤ 57.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

quinoline;1,2,3,4-tetrahydrochrysene
CID 174331390
benzoyl benzoate;1-methyl-1,2,3,4-tetrahydrochrysene
CID 174434035
4-(7-methyl-7,8,9,10-tetrahydrochrysen-1-yl)pyridine
CID 174607280
1,6-naphthyridine;1,2,3,4-tetrahydrochrysene
CID 174401124
1-(bromomethyl)-1,2,3,4-tetrahydrochrysene
CID 174632843
azane;1,2,3,4-tetrahydrochrysen-1-amine;hydrate
CID 174715110
dioctyl benzene-1,2-dicarboxylate;1-methyl-1,2,3,4-tetrahydrochrysene
CID 174870253
7-methoxyquinoline;1,2,3,4-tetrahydrochrysene
CID 174377891
1-(3-chlorophenyl)sulfonyl-1,2,3,4-tetrahydrochrysene;quinoline-7-carboxylic acid
CID 174548112
4,5-dihydro-1,3-oxazol-2-amine;quinoline;1,2,3,4-tetrahydrochrysene
CID 174896543
2-(1,2,3,4-tetrahydrochrysen-2-yl)pyrimidine
CID 174258210
3-(1,2,3,4-tetrahydrochrysen-1-yl)propan-1-ol
CID 174262424

Frequently Asked Questions

What is the IUPAC name of 1-methyl-1,2,3,4-tetrahydrochrysene;quinoline?
The IUPAC name of 1-methyl-1,2,3,4-tetrahydrochrysene;quinoline (CID 174893501) is 1-methyl-1,2,3,4-tetrahydrochrysene;quinoline.
What is the SMILES notation for 1-methyl-1,2,3,4-tetrahydrochrysene;quinoline?
The canonical SMILES for 1-methyl-1,2,3,4-tetrahydrochrysene;quinoline is CC1CCCc2c1ccc1c2ccc2ccccc21.c1ccc2ncccc2c1.
What is the InChIKey of 1-methyl-1,2,3,4-tetrahydrochrysene;quinoline?
The InChIKey is KUOBZISFWLJEDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18.C9H7N/c1-13-5-4-8-17-15(13)11-12-18-16-7-3-2-6-14(16)9-10-19(17)18;1-2-6-9-8(4-1)5-3-7-10-9/h2-3,6-7,9-13H,4-5,8H2,1H3;1-7H.
What are the key properties of 1-methyl-1,2,3,4-tetrahydrochrysene;quinoline?
1-methyl-1,2,3,4-tetrahydrochrysene;quinoline has a molecular weight of 375.52 g/mol, XLogP of 7.67, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-1,2,3,4-tetrahydrochrysene;quinoline is sourced from PubChem (CID 174893501), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).