4-chloro-6,10b-dihydro-4aH-benzo[c][2,7]naphthyridin-5-one

C12H9ClN2O — CID 10537564

IUPAC4-chloro-6,10b-dihydro-4aH-benzo[c][2,7]naphthyridin-5-one
SMILESO=C1Nc2ccccc2C2C=CN=C(Cl)C12
InChIInChI=1S/C12H9ClN2O/c13-11-10-8(5-6-14-11)7-3-1-2-4-9(7)15-12(10)16/h1-6,8,10H,(H,15,16)
InChIKeyPQNNCHQJIDEQPQ-UHFFFAOYSA-N
MW232.67 g/mol
LogP2.50
Rot. Bonds

About 4-chloro-6,10b-dihydro-4aH-benzo[c][2,7]naphthyridin-5-one

4-chloro-6,10b-dihydro-4aH-benzo[c][2,7]naphthyridin-5-one (PubChem CID 10537564) has the molecular formula C12H9ClN2O and a molecular weight of 232.67 g/mol. Its IUPAC name is 4-chloro-6,10b-dihydro-4aH-benzo[c][2,7]naphthyridin-5-one.

Molecular Properties

Compound Name4-chloro-6,10b-dihydro-4aH-benzo[c][2,7]naphthyridin-5-one
PubChem CID10537564
Molecular FormulaC12H9ClN2O
Molecular Weight232.67 g/mol
Exact Mass232.04
IUPAC Name4-chloro-6,10b-dihydro-4aH-benzo[c][2,7]naphthyridin-5-one
SMILESO=C1Nc2ccccc2C2C=CN=C(Cl)C12
InChIInChI=1S/C12H9ClN2O/c13-11-10-8(5-6-14-11)7-3-1-2-4-9(7)15-12(10)16/h1-6,8,10H,(H,15,16)
InChIKeyPQNNCHQJIDEQPQ-UHFFFAOYSA-N
XLogP2.50
TPSA41.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.67
LogP ≤ 52.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of 4-chloro-6,10b-dihydro-4aH-benzo[c][2,7]naphthyridin-5-one?
The IUPAC name of 4-chloro-6,10b-dihydro-4aH-benzo[c][2,7]naphthyridin-5-one (CID 10537564) is 4-chloro-6,10b-dihydro-4aH-benzo[c][2,7]naphthyridin-5-one.
What is the SMILES notation for 4-chloro-6,10b-dihydro-4aH-benzo[c][2,7]naphthyridin-5-one?
The canonical SMILES for 4-chloro-6,10b-dihydro-4aH-benzo[c][2,7]naphthyridin-5-one is O=C1Nc2ccccc2C2C=CN=C(Cl)C12.
What is the InChIKey of 4-chloro-6,10b-dihydro-4aH-benzo[c][2,7]naphthyridin-5-one?
The InChIKey is PQNNCHQJIDEQPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9ClN2O/c13-11-10-8(5-6-14-11)7-3-1-2-4-9(7)15-12(10)16/h1-6,8,10H,(H,15,16).
What are the key properties of 4-chloro-6,10b-dihydro-4aH-benzo[c][2,7]naphthyridin-5-one?
4-chloro-6,10b-dihydro-4aH-benzo[c][2,7]naphthyridin-5-one has a molecular weight of 232.67 g/mol, XLogP of 2.50, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-6,10b-dihydro-4aH-benzo[c][2,7]naphthyridin-5-one is sourced from PubChem (CID 10537564), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).