6-butan-2-yl-2-phenyl-1H-quinolin-4-one

C19H19NO — CID 43668331

IUPAC6-butan-2-yl-2-phenyl-1H-quinolin-4-one
SMILESCCC(C)c1ccc2[nH]c(-c3ccccc3)cc(=O)c2c1
InChIInChI=1S/C19H19NO/c1-3-13(2)15-9-10-17-16(11-15)19(21)12-18(20-17)14-7-5-4-6-8-14/h4-13H,3H2,1-2H3,(H,20,21)
InChIKeyKSZMQAHGHROARP-UHFFFAOYSA-N
MW277.37 g/mol
LogP4.71
Rot. Bonds3

About 6-butan-2-yl-2-phenyl-1H-quinolin-4-one

6-butan-2-yl-2-phenyl-1H-quinolin-4-one (PubChem CID 43668331) has the molecular formula C19H19NO and a molecular weight of 277.37 g/mol. Its IUPAC name is 6-butan-2-yl-2-phenyl-1H-quinolin-4-one.

Molecular Properties

Compound Name6-butan-2-yl-2-phenyl-1H-quinolin-4-one
PubChem CID43668331
Molecular FormulaC19H19NO
Molecular Weight277.37 g/mol
Exact Mass277.15
IUPAC Name6-butan-2-yl-2-phenyl-1H-quinolin-4-one
SMILESCCC(C)c1ccc2[nH]c(-c3ccccc3)cc(=O)c2c1
InChIInChI=1S/C19H19NO/c1-3-13(2)15-9-10-17-16(11-15)19(21)12-18(20-17)14-7-5-4-6-8-14/h4-13H,3H2,1-2H3,(H,20,21)
InChIKeyKSZMQAHGHROARP-UHFFFAOYSA-N
XLogP4.71
TPSA32.86 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.37
LogP ≤ 54.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2-[5-butan-2-yl-2-(4-phenylphenyl)-1H-indol-3-yl]acetic acid
CID 5180331
6-butan-2-yl-4-methyl-1H-quinolin-2-one
CID 143778562
6-butan-2-yl-1H-3,1-benzoxazine-2,4-dione
CID 63109421
6-butan-2-yl-3-ethyl-2-methyl-1H-quinolin-4-one
CID 60999414
2-[5-butan-2-yl-2-(3-chlorophenyl)-1H-indol-3-yl]acetic acid
CID 3539679
2-[5-butan-2-yl-2-(3-fluorophenyl)-1H-indol-3-yl]acetic acid
CID 3653553
5-butan-2-yl-2-(3-methylphenyl)-1H-indole-3-carbaldehyde
CID 3268342
5-butan-2-yl-2-chloro-1H-indole-3-carbaldehyde
CID 3737570
ethyl 4-oxo-2-phenyl-1H-quinoline-7-carboxylate
CID 155209422
2-[2-(4-bromophenyl)-5-butan-2-yl-1H-indol-3-yl]acetic acid
CID 3426446
2-[5-butan-2-yl-2-(4-ethylphenyl)-1H-indol-3-yl]acetic acid
CID 4023025
3-ethyl-7-phenyl-6H-pyrrolo[3,2-f]quinolin-9-one
CID 23636401

Frequently Asked Questions

What is the IUPAC name of 6-butan-2-yl-2-phenyl-1H-quinolin-4-one?
The IUPAC name of 6-butan-2-yl-2-phenyl-1H-quinolin-4-one (CID 43668331) is 6-butan-2-yl-2-phenyl-1H-quinolin-4-one.
What is the SMILES notation for 6-butan-2-yl-2-phenyl-1H-quinolin-4-one?
The canonical SMILES for 6-butan-2-yl-2-phenyl-1H-quinolin-4-one is CCC(C)c1ccc2[nH]c(-c3ccccc3)cc(=O)c2c1.
What is the InChIKey of 6-butan-2-yl-2-phenyl-1H-quinolin-4-one?
The InChIKey is KSZMQAHGHROARP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19NO/c1-3-13(2)15-9-10-17-16(11-15)19(21)12-18(20-17)14-7-5-4-6-8-14/h4-13H,3H2,1-2H3,(H,20,21).
What are the key properties of 6-butan-2-yl-2-phenyl-1H-quinolin-4-one?
6-butan-2-yl-2-phenyl-1H-quinolin-4-one has a molecular weight of 277.37 g/mol, XLogP of 4.71, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6-butan-2-yl-2-phenyl-1H-quinolin-4-one is sourced from PubChem (CID 43668331), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).