1-(4-tert-butylquinolin-3-yl)-3-(2-methyl-4-pyridinyl)propan-2-one

C22H24N2O — CID 158161985

IUPAC1-(4-tert-butylquinolin-3-yl)-3-(2-methyl-4-pyridinyl)propan-2-one
SMILESCc1cc(CC(=O)Cc2cnc3ccccc3c2C(C)(C)C)ccn1
InChIInChI=1S/C22H24N2O/c1-15-11-16(9-10-23-15)12-18(25)13-17-14-24-20-8-6-5-7-19(20)21(17)22(2,3)4/h5-11,14H,12-13H2,1-4H3
InChIKeyATNAECATCJIDCX-UHFFFAOYSA-N
MW332.45 g/mol
LogP4.59
Rot. Bonds4

About 1-(4-tert-butylquinolin-3-yl)-3-(2-methyl-4-pyridinyl)propan-2-one

1-(4-tert-butylquinolin-3-yl)-3-(2-methyl-4-pyridinyl)propan-2-one (PubChem CID 158161985) has the molecular formula C22H24N2O and a molecular weight of 332.45 g/mol. Its IUPAC name is 1-(4-tert-butylquinolin-3-yl)-3-(2-methyl-4-pyridinyl)propan-2-one.

Molecular Properties

Compound Name1-(4-tert-butylquinolin-3-yl)-3-(2-methyl-4-pyridinyl)propan-2-one
PubChem CID158161985
Molecular FormulaC22H24N2O
Molecular Weight332.45 g/mol
Exact Mass332.19
IUPAC Name1-(4-tert-butylquinolin-3-yl)-3-(2-methyl-4-pyridinyl)propan-2-one
SMILESCc1cc(CC(=O)Cc2cnc3ccccc3c2C(C)(C)C)ccn1
InChIInChI=1S/C22H24N2O/c1-15-11-16(9-10-23-15)12-18(25)13-17-14-24-20-8-6-5-7-19(20)21(17)22(2,3)4/h5-11,14H,12-13H2,1-4H3
InChIKeyATNAECATCJIDCX-UHFFFAOYSA-N
XLogP4.59
TPSA42.85 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.45
LogP ≤ 54.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-[5-chloro-6-(triazol-2-yl)-3-pyridinyl]-3-[4-(trifluoromethyl)quinolin-3-yl]propan-2-one
CID 157451117
1-(3-aminophenyl)-3-quinolin-4-ylpropan-2-one
CID 116577142
1-quinolin-4-ylbutan-2-one
CID 15695851
4-tert-butylquinoline-3-carbaldehyde
CID 105466862
3-hydroxy-4,4-dimethyl-1-quinolin-4-ylpentan-2-one
CID 103456262
(2-methyl-4-pyridinyl)methylcarbamic acid
CID 89157251
1-(2-benzoylphenyl)-3-[4-(2-methyl-4-pyridinyl)phenyl]propan-2-one
CID 58267191
1-(6-bromo-4-methylquinolin-3-yl)-3-pyridin-3-ylpropan-2-one;ethane
CID 158252107
1-[4-(2-methyl-4-pyridinyl)phenyl]-3-(2-methylsulfanylphenyl)propan-2-one
CID 58267060
1-(2,6-dimethyl-4-pyridinyl)-3-phenylpropan-2-one
CID 141325078
2-(3-methylphenyl)-N-(quinolin-4-ylmethyl)acetamide
CID 110734253
1-(5-methylpyrazin-2-yl)-2-quinolin-4-ylethanone
CID 105109033

Frequently Asked Questions

What is the IUPAC name of 1-(4-tert-butylquinolin-3-yl)-3-(2-methyl-4-pyridinyl)propan-2-one?
The IUPAC name of 1-(4-tert-butylquinolin-3-yl)-3-(2-methyl-4-pyridinyl)propan-2-one (CID 158161985) is 1-(4-tert-butylquinolin-3-yl)-3-(2-methyl-4-pyridinyl)propan-2-one.
What is the SMILES notation for 1-(4-tert-butylquinolin-3-yl)-3-(2-methyl-4-pyridinyl)propan-2-one?
The canonical SMILES for 1-(4-tert-butylquinolin-3-yl)-3-(2-methyl-4-pyridinyl)propan-2-one is Cc1cc(CC(=O)Cc2cnc3ccccc3c2C(C)(C)C)ccn1.
What is the InChIKey of 1-(4-tert-butylquinolin-3-yl)-3-(2-methyl-4-pyridinyl)propan-2-one?
The InChIKey is ATNAECATCJIDCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24N2O/c1-15-11-16(9-10-23-15)12-18(25)13-17-14-24-20-8-6-5-7-19(20)21(17)22(2,3)4/h5-11,14H,12-13H2,1-4H3.
What are the key properties of 1-(4-tert-butylquinolin-3-yl)-3-(2-methyl-4-pyridinyl)propan-2-one?
1-(4-tert-butylquinolin-3-yl)-3-(2-methyl-4-pyridinyl)propan-2-one has a molecular weight of 332.45 g/mol, XLogP of 4.59, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-tert-butylquinolin-3-yl)-3-(2-methyl-4-pyridinyl)propan-2-one is sourced from PubChem (CID 158161985), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).