ethane;tetrakis(2-methylpropane);1,5-naphthyridine;1,8-naphthyridine;quinazoline;quinoline

C65H113N7 — CID 159253000

IUPACethane;tetrakis(2-methylpropane);1,5-naphthyridine;1,8-naphthyridine;quinazoline;quinoline
SMILESCC.CC.CC.CC.CC.CC.CC.CC.CC(C)C.CC(C)C.CC(C)C.CC(C)C.c1ccc2ncccc2c1.c1ccc2ncncc2c1.c1cnc2cccnc2c1.c1cnc2ncccc2c1
InChIInChI=1S/C9H7N.3C8H6N2.4C4H10.8C2H6/c1-2-6-9-8(4-1)5-3-7-10-9;1-3-7-8(9-5-1)4-2-6-10-7;1-3-7-4-2-6-10-8(7)9-5-1;1-2-4-8-7(3-1)5-9-6-10-8;4*1-4(2)3;8*1-2/h1-7H;3*1-6H;4*4H,1-3H3;8*1-2H3
InChIKeyKVNQPOIISRFFKY-UHFFFAOYSA-N
MW992.67 g/mol
LogP21.98
Rot. Bonds

About ethane;tetrakis(2-methylpropane);1,5-naphthyridine;1,8-naphthyridine;quinazoline;quinoline

ethane;tetrakis(2-methylpropane);1,5-naphthyridine;1,8-naphthyridine;quinazoline;quinoline (PubChem CID 159253000) has the molecular formula C65H113N7 and a molecular weight of 992.67 g/mol. Its IUPAC name is ethane;tetrakis(2-methylpropane);1,5-naphthyridine;1,8-naphthyridine;quinazoline;quinoline.

Molecular Properties

Compound Nameethane;tetrakis(2-methylpropane);1,5-naphthyridine;1,8-naphthyridine;quinazoline;quinoline
PubChem CID159253000
Molecular FormulaC65H113N7
Molecular Weight992.67 g/mol
Exact Mass991.91
IUPAC Nameethane;tetrakis(2-methylpropane);1,5-naphthyridine;1,8-naphthyridine;quinazoline;quinoline
SMILESCC.CC.CC.CC.CC.CC.CC.CC.CC(C)C.CC(C)C.CC(C)C.CC(C)C.c1ccc2ncccc2c1.c1ccc2ncncc2c1.c1cnc2cccnc2c1.c1cnc2ncccc2c1
InChIInChI=1S/C9H7N.3C8H6N2.4C4H10.8C2H6/c1-2-6-9-8(4-1)5-3-7-10-9;1-3-7-8(9-5-1)4-2-6-10-7;1-3-7-4-2-6-10-8(7)9-5-1;1-2-4-8-7(3-1)5-9-6-10-8;4*1-4(2)3;8*1-2/h1-7H;3*1-6H;4*4H,1-3H3;8*1-2H3
InChIKeyKVNQPOIISRFFKY-UHFFFAOYSA-N
XLogP21.98
TPSA90.23 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds
Heavy Atoms72
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500992.67
LogP ≤ 521.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze ethane;tetrakis(2-methylpropane);1,5-naphthyridine;1,8-naphthyridine;quinazoline;quinoline 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 ethane;tetrakis(2-methylpropane);1,5-naphthyridine;1,8-naphthyridine;quinazoline;quinoline?
The IUPAC name of ethane;tetrakis(2-methylpropane);1,5-naphthyridine;1,8-naphthyridine;quinazoline;quinoline (CID 159253000) is ethane;tetrakis(2-methylpropane);1,5-naphthyridine;1,8-naphthyridine;quinazoline;quinoline.
What is the SMILES notation for ethane;tetrakis(2-methylpropane);1,5-naphthyridine;1,8-naphthyridine;quinazoline;quinoline?
The canonical SMILES for ethane;tetrakis(2-methylpropane);1,5-naphthyridine;1,8-naphthyridine;quinazoline;quinoline is CC.CC.CC.CC.CC.CC.CC.CC.CC(C)C.CC(C)C.CC(C)C.CC(C)C.c1ccc2ncccc2c1.c1ccc2ncncc2c1.c1cnc2cccnc2c1.c1cnc2ncccc2c1.
What is the InChIKey of ethane;tetrakis(2-methylpropane);1,5-naphthyridine;1,8-naphthyridine;quinazoline;quinoline?
The InChIKey is KVNQPOIISRFFKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H7N.3C8H6N2.4C4H10.8C2H6/c1-2-6-9-8(4-1)5-3-7-10-9;1-3-7-8(9-5-1)4-2-6-10-7;1-3-7-4-2-6-10-8(7)9-5-1;1-2-4-8-7(3-1)5-9-6-10-8;4*1-4(2)3;8*1-2/h1-7H;3*1-6H;4*4H,1-3H3;8*1-2H3.
What are the key properties of ethane;tetrakis(2-methylpropane);1,5-naphthyridine;1,8-naphthyridine;quinazoline;quinoline?
ethane;tetrakis(2-methylpropane);1,5-naphthyridine;1,8-naphthyridine;quinazoline;quinoline has a molecular weight of 992.67 g/mol, XLogP of 21.98, 0 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;tetrakis(2-methylpropane);1,5-naphthyridine;1,8-naphthyridine;quinazoline;quinoline is sourced from PubChem (CID 159253000), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).