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

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Related Compounds

cinnoline;ethane;isoquinoline;naphthalene;1,5-naphthyridine;1,8-naphthyridine;quinazoline;quinoline;quinoxaline
CID 158115391
bis(2-methylpropane);quinoline
CID 159945466
cinnoline;ethane;isoquinoline;naphthalene;quinazoline;quinoline;quinoxaline
CID 158080804
ethane;isoquinoline;hexakis(2-methylpropane);2-methyl-1-propan-2-ylisoindole;naphthalene;quinazoline;quinoline
CID 160955429
1,5-naphthyridine;1,6-naphthyridine;1,7-naphthyridine;1,8-naphthyridine;2,6-naphthyridine;2,7-naphthyridine;phthalazine;pteridine;pyrido[2,3-b]pyrazine;pyrido[3,4-b]pyrazine;pyrido[2,3-d]pyrimidine;pyrido[3,2-d]pyrimidine;pyrido[3,4-d]pyrimidine;pyrido[4,3-d]pyrimidine;pyrimido[4,5-d]pyrimidine;pyrimido[5,4-d]pyrimidine;quinazoline;quinoxaline
CID 167559744
1,5-naphthyridine;1,6-naphthyridine;1,7-naphthyridine;1,8-naphthyridine;2,6-naphthyridine;2,7-naphthyridine;phthalazine;pyrazino[2,3-b]pyrazine;pyrido[2,3-b]pyrazine;pyrido[3,4-b]pyrazine;pyrido[2,3-d]pyrimidine;pyrido[3,2-d]pyrimidine;pyrido[3,4-d]pyrimidine;pyrido[4,3-d]pyrimidine;pyrimido[4,5-d]pyrimidine;pyrimido[5,4-d]pyrimidine;quinoxaline
CID 162024202
1,1-dichloroethane;quinoline
CID 174696538
propan-2-ol;quinoline
CID 172685699
cinnoline;ethane;isoquinoline;1,8-naphthyridine;phthalazine;quinazoline;quinoline;quinoxaline;5,6,7,8-tetrahydroisoquinoline;5,6,7,8-tetrahydroquinoline
CID 162034088
ethane;methanol;quinoline
CID 90686502
pyrido[3,2-d]pyrimidine;pyrido[3,4-d]pyrimidine;pyrido[4,3-d]pyrimidine
CID 67067545
2-hydroxypropanoic acid;quinazoline
CID 157213189

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).