benzene;1H-quinolin-4-one

C15H13NO — CID 175272043

IUPACbenzene;1H-quinolin-4-one
SMILESO=c1cc[nH]c2ccccc12.c1ccccc1
InChIInChI=1S/C9H7NO.C6H6/c11-9-5-6-10-8-4-2-1-3-7(8)9;1-2-4-6-5-3-1/h1-6H,(H,10,11);1-6H
InChIKeyLASSCWUSIUSCFV-UHFFFAOYSA-N
MW223.28 g/mol
LogP3.21
Rot. Bonds

About benzene;1H-quinolin-4-one

benzene;1H-quinolin-4-one (PubChem CID 175272043) has the molecular formula C15H13NO and a molecular weight of 223.28 g/mol. Its IUPAC name is benzene;1H-quinolin-4-one.

Molecular Properties

Compound Namebenzene;1H-quinolin-4-one
PubChem CID175272043
Molecular FormulaC15H13NO
Molecular Weight223.28 g/mol
Exact Mass223.10
IUPAC Namebenzene;1H-quinolin-4-one
SMILESO=c1cc[nH]c2ccccc12.c1ccccc1
InChIInChI=1S/C9H7NO.C6H6/c11-9-5-6-10-8-4-2-1-3-7(8)9;1-2-4-6-5-3-1/h1-6H,(H,10,11);1-6H
InChIKeyLASSCWUSIUSCFV-UHFFFAOYSA-N
XLogP3.21
TPSA32.86 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.28
LogP ≤ 53.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

7-(2-phenylethyl)-1H-quinolin-4-one
CID 19075085
1,9-dihydropyrido[3,2-g]quinoline-4,6-dione
CID 58898447
Sodium 4-quinolyl thiol
CID 131747354
5-phenyl-1H-quinolin-4-one
CID 155929320
(4-oxo-1H-quinolin-6-yl)azanium
CID 135689638
1H-1,7-naphthyridin-4-one
CID 589687
6-chloro-1H-benzo[h]quinolin-4-one
CID 23269753
1,10-dihydro-1,10-phenanthroline-4,7-dione
CID 158267302
6,7-dihydroxy-1H-quinolin-4-one
CID 19831784
2-(1H-indol-4-yl)-3H-quinazolin-4-one
CID 168550804
1H-indol-4-ol
CID 102220556
7-cyclopropyl-1H-quinolin-4-one
CID 169178184

Frequently Asked Questions

What is the IUPAC name of benzene;1H-quinolin-4-one?
The IUPAC name of benzene;1H-quinolin-4-one (CID 175272043) is benzene;1H-quinolin-4-one.
What is the SMILES notation for benzene;1H-quinolin-4-one?
The canonical SMILES for benzene;1H-quinolin-4-one is O=c1cc[nH]c2ccccc12.c1ccccc1.
What is the InChIKey of benzene;1H-quinolin-4-one?
The InChIKey is LASSCWUSIUSCFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H7NO.C6H6/c11-9-5-6-10-8-4-2-1-3-7(8)9;1-2-4-6-5-3-1/h1-6H,(H,10,11);1-6H.
What are the key properties of benzene;1H-quinolin-4-one?
benzene;1H-quinolin-4-one has a molecular weight of 223.28 g/mol, XLogP of 3.21, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for benzene;1H-quinolin-4-one is sourced from PubChem (CID 175272043), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).