ethane;2-methyl-3,6,7,8-tetrahydrocyclopenta[g]quinazolin-4-one

C14H18N2O — CID 142217588

IUPACethane;2-methyl-3,6,7,8-tetrahydrocyclopenta[g]quinazolin-4-one
SMILESCC.Cc1nc2cc3c(cc2c(=O)[nH]1)CCC3
InChIInChI=1S/C12H12N2O.C2H6/c1-7-13-11-6-9-4-2-3-8(9)5-10(11)12(15)14-7;1-2/h5-6H,2-4H2,1H3,(H,13,14,15);1-2H3
InChIKeyWAESUXBJLMCHEU-UHFFFAOYSA-N
MW230.31 g/mol
LogP2.75
Rot. Bonds

About ethane;2-methyl-3,6,7,8-tetrahydrocyclopenta[g]quinazolin-4-one

ethane;2-methyl-3,6,7,8-tetrahydrocyclopenta[g]quinazolin-4-one (PubChem CID 142217588) has the molecular formula C14H18N2O and a molecular weight of 230.31 g/mol. Its IUPAC name is ethane;2-methyl-3,6,7,8-tetrahydrocyclopenta[g]quinazolin-4-one.

Molecular Properties

Compound Nameethane;2-methyl-3,6,7,8-tetrahydrocyclopenta[g]quinazolin-4-one
PubChem CID142217588
Molecular FormulaC14H18N2O
Molecular Weight230.31 g/mol
Exact Mass230.14
IUPAC Nameethane;2-methyl-3,6,7,8-tetrahydrocyclopenta[g]quinazolin-4-one
SMILESCC.Cc1nc2cc3c(cc2c(=O)[nH]1)CCC3
InChIInChI=1S/C12H12N2O.C2H6/c1-7-13-11-6-9-4-2-3-8(9)5-10(11)12(15)14-7;1-2/h5-6H,2-4H2,1H3,(H,13,14,15);1-2H3
InChIKeyWAESUXBJLMCHEU-UHFFFAOYSA-N
XLogP2.75
TPSA45.75 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.31
LogP ≤ 52.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of ethane;2-methyl-3,6,7,8-tetrahydrocyclopenta[g]quinazolin-4-one?
The IUPAC name of ethane;2-methyl-3,6,7,8-tetrahydrocyclopenta[g]quinazolin-4-one (CID 142217588) is ethane;2-methyl-3,6,7,8-tetrahydrocyclopenta[g]quinazolin-4-one.
What is the SMILES notation for ethane;2-methyl-3,6,7,8-tetrahydrocyclopenta[g]quinazolin-4-one?
The canonical SMILES for ethane;2-methyl-3,6,7,8-tetrahydrocyclopenta[g]quinazolin-4-one is CC.Cc1nc2cc3c(cc2c(=O)[nH]1)CCC3.
What is the InChIKey of ethane;2-methyl-3,6,7,8-tetrahydrocyclopenta[g]quinazolin-4-one?
The InChIKey is WAESUXBJLMCHEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12N2O.C2H6/c1-7-13-11-6-9-4-2-3-8(9)5-10(11)12(15)14-7;1-2/h5-6H,2-4H2,1H3,(H,13,14,15);1-2H3.
What are the key properties of ethane;2-methyl-3,6,7,8-tetrahydrocyclopenta[g]quinazolin-4-one?
ethane;2-methyl-3,6,7,8-tetrahydrocyclopenta[g]quinazolin-4-one has a molecular weight of 230.31 g/mol, XLogP of 2.75, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;2-methyl-3,6,7,8-tetrahydrocyclopenta[g]quinazolin-4-one is sourced from PubChem (CID 142217588), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).