1-oxo-2,7,8,9-tetrahydrocyclopenta[f]quinazoline-3-carboxylic acid

C12H10N2O3 — CID 135961511

IUPAC1-oxo-2,7,8,9-tetrahydrocyclopenta[f]quinazoline-3-carboxylic acid
SMILESO=C(O)c1nc2ccc3c(c2c(=O)[nH]1)CCC3
InChIInChI=1S/C12H10N2O3/c15-11-9-7-3-1-2-6(7)4-5-8(9)13-10(14-11)12(16)17/h4-5H,1-3H2,(H,16,17)(H,13,14,15)
InChIKeyFRVMBXXOSYXKFV-UHFFFAOYSA-N
MW230.22 g/mol
LogP1.11
Rot. Bonds1

About 1-oxo-2,7,8,9-tetrahydrocyclopenta[f]quinazoline-3-carboxylic acid

1-oxo-2,7,8,9-tetrahydrocyclopenta[f]quinazoline-3-carboxylic acid (PubChem CID 135961511) has the molecular formula C12H10N2O3 and a molecular weight of 230.22 g/mol. Its IUPAC name is 1-oxo-2,7,8,9-tetrahydrocyclopenta[f]quinazoline-3-carboxylic acid.

Molecular Properties

Compound Name1-oxo-2,7,8,9-tetrahydrocyclopenta[f]quinazoline-3-carboxylic acid
PubChem CID135961511
Molecular FormulaC12H10N2O3
Molecular Weight230.22 g/mol
Exact Mass230.07
IUPAC Name1-oxo-2,7,8,9-tetrahydrocyclopenta[f]quinazoline-3-carboxylic acid
SMILESO=C(O)c1nc2ccc3c(c2c(=O)[nH]1)CCC3
InChIInChI=1S/C12H10N2O3/c15-11-9-7-3-1-2-6(7)4-5-8(9)13-10(14-11)12(16)17/h4-5H,1-3H2,(H,16,17)(H,13,14,15)
InChIKeyFRVMBXXOSYXKFV-UHFFFAOYSA-N
XLogP1.11
TPSA83.05 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.22
LogP ≤ 51.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-oxo-2,7,8,9-tetrahydrocyclopenta[f]quinazoline-3-carboxylic acid?
The IUPAC name of 1-oxo-2,7,8,9-tetrahydrocyclopenta[f]quinazoline-3-carboxylic acid (CID 135961511) is 1-oxo-2,7,8,9-tetrahydrocyclopenta[f]quinazoline-3-carboxylic acid.
What is the SMILES notation for 1-oxo-2,7,8,9-tetrahydrocyclopenta[f]quinazoline-3-carboxylic acid?
The canonical SMILES for 1-oxo-2,7,8,9-tetrahydrocyclopenta[f]quinazoline-3-carboxylic acid is O=C(O)c1nc2ccc3c(c2c(=O)[nH]1)CCC3.
What is the InChIKey of 1-oxo-2,7,8,9-tetrahydrocyclopenta[f]quinazoline-3-carboxylic acid?
The InChIKey is FRVMBXXOSYXKFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10N2O3/c15-11-9-7-3-1-2-6(7)4-5-8(9)13-10(14-11)12(16)17/h4-5H,1-3H2,(H,16,17)(H,13,14,15).
What are the key properties of 1-oxo-2,7,8,9-tetrahydrocyclopenta[f]quinazoline-3-carboxylic acid?
1-oxo-2,7,8,9-tetrahydrocyclopenta[f]quinazoline-3-carboxylic acid has a molecular weight of 230.22 g/mol, XLogP of 1.11, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-oxo-2,7,8,9-tetrahydrocyclopenta[f]quinazoline-3-carboxylic acid is sourced from PubChem (CID 135961511), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).