4-naphthalen-2-yl-3,4-dihydro-1H-benzo[h]quinolin-2-one

C23H17NO — CID 2879509

IUPAC4-naphthalen-2-yl-3,4-dihydro-1H-benzo[h]quinolin-2-one
SMILESO=C1CC(c2ccc3ccccc3c2)c2ccc3ccccc3c2N1
InChIInChI=1S/C23H17NO/c25-22-14-21(18-10-9-15-5-1-2-7-17(15)13-18)20-12-11-16-6-3-4-8-19(16)23(20)24-22/h1-13,21H,14H2,(H,24,25)
InChIKeyFDNQRHOUNVEXGA-UHFFFAOYSA-N
MW323.40 g/mol
LogP5.47
Rot. Bonds1

About 4-naphthalen-2-yl-3,4-dihydro-1H-benzo[h]quinolin-2-one

4-naphthalen-2-yl-3,4-dihydro-1H-benzo[h]quinolin-2-one (PubChem CID 2879509) has the molecular formula C23H17NO and a molecular weight of 323.40 g/mol. Its IUPAC name is 4-naphthalen-2-yl-3,4-dihydro-1H-benzo[h]quinolin-2-one.

Molecular Properties

Compound Name4-naphthalen-2-yl-3,4-dihydro-1H-benzo[h]quinolin-2-one
PubChem CID2879509
Molecular FormulaC23H17NO
Molecular Weight323.40 g/mol
Exact Mass323.13
IUPAC Name4-naphthalen-2-yl-3,4-dihydro-1H-benzo[h]quinolin-2-one
SMILESO=C1CC(c2ccc3ccccc3c2)c2ccc3ccccc3c2N1
InChIInChI=1S/C23H17NO/c25-22-14-21(18-10-9-15-5-1-2-7-17(15)13-18)20-12-11-16-6-3-4-8-19(16)23(20)24-22/h1-13,21H,14H2,(H,24,25)
InChIKeyFDNQRHOUNVEXGA-UHFFFAOYSA-N
XLogP5.47
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500323.40
LogP ≤ 55.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 4-naphthalen-2-yl-3,4-dihydro-1H-benzo[h]quinolin-2-one?
The IUPAC name of 4-naphthalen-2-yl-3,4-dihydro-1H-benzo[h]quinolin-2-one (CID 2879509) is 4-naphthalen-2-yl-3,4-dihydro-1H-benzo[h]quinolin-2-one.
What is the SMILES notation for 4-naphthalen-2-yl-3,4-dihydro-1H-benzo[h]quinolin-2-one?
The canonical SMILES for 4-naphthalen-2-yl-3,4-dihydro-1H-benzo[h]quinolin-2-one is O=C1CC(c2ccc3ccccc3c2)c2ccc3ccccc3c2N1.
What is the InChIKey of 4-naphthalen-2-yl-3,4-dihydro-1H-benzo[h]quinolin-2-one?
The InChIKey is FDNQRHOUNVEXGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H17NO/c25-22-14-21(18-10-9-15-5-1-2-7-17(15)13-18)20-12-11-16-6-3-4-8-19(16)23(20)24-22/h1-13,21H,14H2,(H,24,25).
What are the key properties of 4-naphthalen-2-yl-3,4-dihydro-1H-benzo[h]quinolin-2-one?
4-naphthalen-2-yl-3,4-dihydro-1H-benzo[h]quinolin-2-one has a molecular weight of 323.40 g/mol, XLogP of 5.47, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-naphthalen-2-yl-3,4-dihydro-1H-benzo[h]quinolin-2-one is sourced from PubChem (CID 2879509), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).