1-[(4-bromophenyl)methyl]-3-(naphthalene-1-carbonyl)quinolin-4-one

C27H18BrNO2 — CID 23634661

IUPAC1-[(4-bromophenyl)methyl]-3-(naphthalene-1-carbonyl)quinolin-4-one
SMILESO=C(c1cn(Cc2ccc(Br)cc2)c2ccccc2c1=O)c1cccc2ccccc12
InChIInChI=1S/C27H18BrNO2/c28-20-14-12-18(13-15-20)16-29-17-24(27(31)23-9-3-4-11-25(23)29)26(30)22-10-5-7-19-6-1-2-8-21(19)22/h1-15,17H,16H2
InChIKeyKRPGWNMOSRJJHJ-UHFFFAOYSA-N
MW468.35 g/mol
LogP6.20
Rot. Bonds4

About 1-[(4-bromophenyl)methyl]-3-(naphthalene-1-carbonyl)quinolin-4-one

1-[(4-bromophenyl)methyl]-3-(naphthalene-1-carbonyl)quinolin-4-one (PubChem CID 23634661) has the molecular formula C27H18BrNO2 and a molecular weight of 468.35 g/mol. Its IUPAC name is 1-[(4-bromophenyl)methyl]-3-(naphthalene-1-carbonyl)quinolin-4-one.

Molecular Properties

Compound Name1-[(4-bromophenyl)methyl]-3-(naphthalene-1-carbonyl)quinolin-4-one
PubChem CID23634661
Molecular FormulaC27H18BrNO2
Molecular Weight468.35 g/mol
Exact Mass467.05
IUPAC Name1-[(4-bromophenyl)methyl]-3-(naphthalene-1-carbonyl)quinolin-4-one
SMILESO=C(c1cn(Cc2ccc(Br)cc2)c2ccccc2c1=O)c1cccc2ccccc12
InChIInChI=1S/C27H18BrNO2/c28-20-14-12-18(13-15-20)16-29-17-24(27(31)23-9-3-4-11-25(23)29)26(30)22-10-5-7-19-6-1-2-8-21(19)22/h1-15,17H,16H2
InChIKeyKRPGWNMOSRJJHJ-UHFFFAOYSA-N
XLogP6.20
TPSA39.07 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500468.35
LogP ≤ 56.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[(4-bromophenyl)methyl]-3-(naphthalene-1-carbonyl)quinolin-4-one?
The IUPAC name of 1-[(4-bromophenyl)methyl]-3-(naphthalene-1-carbonyl)quinolin-4-one (CID 23634661) is 1-[(4-bromophenyl)methyl]-3-(naphthalene-1-carbonyl)quinolin-4-one.
What is the SMILES notation for 1-[(4-bromophenyl)methyl]-3-(naphthalene-1-carbonyl)quinolin-4-one?
The canonical SMILES for 1-[(4-bromophenyl)methyl]-3-(naphthalene-1-carbonyl)quinolin-4-one is O=C(c1cn(Cc2ccc(Br)cc2)c2ccccc2c1=O)c1cccc2ccccc12.
What is the InChIKey of 1-[(4-bromophenyl)methyl]-3-(naphthalene-1-carbonyl)quinolin-4-one?
The InChIKey is KRPGWNMOSRJJHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H18BrNO2/c28-20-14-12-18(13-15-20)16-29-17-24(27(31)23-9-3-4-11-25(23)29)26(30)22-10-5-7-19-6-1-2-8-21(19)22/h1-15,17H,16H2.
What are the key properties of 1-[(4-bromophenyl)methyl]-3-(naphthalene-1-carbonyl)quinolin-4-one?
1-[(4-bromophenyl)methyl]-3-(naphthalene-1-carbonyl)quinolin-4-one has a molecular weight of 468.35 g/mol, XLogP of 6.20, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4-bromophenyl)methyl]-3-(naphthalene-1-carbonyl)quinolin-4-one is sourced from PubChem (CID 23634661), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).