ethane;1,7-naphthyridine;quinoline

C21H25N3 — CID 145375138

IUPACethane;1,7-naphthyridine;quinoline
SMILESCC.CC.c1ccc2ncccc2c1.c1cnc2cnccc2c1
InChIInChI=1S/C9H7N.C8H6N2.2C2H6/c1-2-6-9-8(4-1)5-3-7-10-9;1-2-7-3-5-9-6-8(7)10-4-1;2*1-2/h1-7H;1-6H;2*1-2H3
InChIKeyDQGMYAZLRSATHE-UHFFFAOYSA-N
MW319.45 g/mol
LogP5.92
Rot. Bonds

About ethane;1,7-naphthyridine;quinoline

ethane;1,7-naphthyridine;quinoline (PubChem CID 145375138) has the molecular formula C21H25N3 and a molecular weight of 319.45 g/mol. Its IUPAC name is ethane;1,7-naphthyridine;quinoline.

Molecular Properties

Compound Nameethane;1,7-naphthyridine;quinoline
PubChem CID145375138
Molecular FormulaC21H25N3
Molecular Weight319.45 g/mol
Exact Mass319.20
IUPAC Nameethane;1,7-naphthyridine;quinoline
SMILESCC.CC.c1ccc2ncccc2c1.c1cnc2cnccc2c1
InChIInChI=1S/C9H7N.C8H6N2.2C2H6/c1-2-6-9-8(4-1)5-3-7-10-9;1-2-7-3-5-9-6-8(7)10-4-1;2*1-2/h1-7H;1-6H;2*1-2H3
InChIKeyDQGMYAZLRSATHE-UHFFFAOYSA-N
XLogP5.92
TPSA38.67 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500319.45
LogP ≤ 55.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

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CID 50910245
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Frequently Asked Questions

What is the IUPAC name of ethane;1,7-naphthyridine;quinoline?
The IUPAC name of ethane;1,7-naphthyridine;quinoline (CID 145375138) is ethane;1,7-naphthyridine;quinoline.
What is the SMILES notation for ethane;1,7-naphthyridine;quinoline?
The canonical SMILES for ethane;1,7-naphthyridine;quinoline is CC.CC.c1ccc2ncccc2c1.c1cnc2cnccc2c1.
What is the InChIKey of ethane;1,7-naphthyridine;quinoline?
The InChIKey is DQGMYAZLRSATHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H7N.C8H6N2.2C2H6/c1-2-6-9-8(4-1)5-3-7-10-9;1-2-7-3-5-9-6-8(7)10-4-1;2*1-2/h1-7H;1-6H;2*1-2H3.
What are the key properties of ethane;1,7-naphthyridine;quinoline?
ethane;1,7-naphthyridine;quinoline has a molecular weight of 319.45 g/mol, XLogP of 5.92, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;1,7-naphthyridine;quinoline is sourced from PubChem (CID 145375138), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).