2-methylpropane;4-propan-2-ylbenzo[g]quinoline

C20H25N — CID 168983890

IUPAC2-methylpropane;4-propan-2-ylbenzo[g]quinoline
SMILESCC(C)C.CC(C)c1ccnc2cc3ccccc3cc12
InChIInChI=1S/C16H15N.C4H10/c1-11(2)14-7-8-17-16-10-13-6-4-3-5-12(13)9-15(14)16;1-4(2)3/h3-11H,1-2H3;4H,1-3H3
InChIKeyAEZIDGIVEYQNDX-UHFFFAOYSA-N
MW279.43 g/mol
LogP6.17
Rot. Bonds1

About 2-methylpropane;4-propan-2-ylbenzo[g]quinoline

2-methylpropane;4-propan-2-ylbenzo[g]quinoline (PubChem CID 168983890) has the molecular formula C20H25N and a molecular weight of 279.43 g/mol. Its IUPAC name is 2-methylpropane;4-propan-2-ylbenzo[g]quinoline.

Molecular Properties

Compound Name2-methylpropane;4-propan-2-ylbenzo[g]quinoline
PubChem CID168983890
Molecular FormulaC20H25N
Molecular Weight279.43 g/mol
Exact Mass279.20
IUPAC Name2-methylpropane;4-propan-2-ylbenzo[g]quinoline
SMILESCC(C)C.CC(C)c1ccnc2cc3ccccc3cc12
InChIInChI=1S/C16H15N.C4H10/c1-11(2)14-7-8-17-16-10-13-6-4-3-5-12(13)9-15(14)16;1-4(2)3/h3-11H,1-2H3;4H,1-3H3
InChIKeyAEZIDGIVEYQNDX-UHFFFAOYSA-N
XLogP6.17
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500279.43
LogP ≤ 56.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}

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Related Compounds

5-methyl-4-propan-2-ylbenzo[g]quinoline
CID 168983868
CID 160608048
CID 160608048
6-iodo-4-propan-2-ylquinoline
CID 134691840
6-fluoro-4-propan-2-ylquinoline
CID 83527062
ethane;1-methyl-4-propan-2-ylanthracene
CID 144783014
6,7-di(propan-2-yl)quinoline;ethane
CID 157071831
bis(2-methylpropane);quinoline
CID 159945466
anthracene;2-methylpropane
CID 142471530
6-propan-2-ylbenzo[a]anthracene
CID 90474215
ethane;6-methyl-4-propan-2-ylbenzo[h]quinoline
CID 168983900
ethane;methane;1-propan-2-ylnaphthalene
CID 160778548
7-chloro-5-propan-2-ylquinoline
CID 155708995

Frequently Asked Questions

What is the IUPAC name of 2-methylpropane;4-propan-2-ylbenzo[g]quinoline?
The IUPAC name of 2-methylpropane;4-propan-2-ylbenzo[g]quinoline (CID 168983890) is 2-methylpropane;4-propan-2-ylbenzo[g]quinoline.
What is the SMILES notation for 2-methylpropane;4-propan-2-ylbenzo[g]quinoline?
The canonical SMILES for 2-methylpropane;4-propan-2-ylbenzo[g]quinoline is CC(C)C.CC(C)c1ccnc2cc3ccccc3cc12.
What is the InChIKey of 2-methylpropane;4-propan-2-ylbenzo[g]quinoline?
The InChIKey is AEZIDGIVEYQNDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15N.C4H10/c1-11(2)14-7-8-17-16-10-13-6-4-3-5-12(13)9-15(14)16;1-4(2)3/h3-11H,1-2H3;4H,1-3H3.
What are the key properties of 2-methylpropane;4-propan-2-ylbenzo[g]quinoline?
2-methylpropane;4-propan-2-ylbenzo[g]quinoline has a molecular weight of 279.43 g/mol, XLogP of 6.17, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methylpropane;4-propan-2-ylbenzo[g]quinoline is sourced from PubChem (CID 168983890), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).