6-butyl-2-methyl-7-(2-phenoxyethoxy)-3-pyridin-3-yl-1H-quinolin-4-one

C27H28N2O3 — CID 56925876

IUPAC6-butyl-2-methyl-7-(2-phenoxyethoxy)-3-pyridin-3-yl-1H-quinolin-4-one
SMILESCCCCc1cc2c(=O)c(-c3cccnc3)c(C)[nH]c2cc1OCCOc1ccccc1
InChIInChI=1S/C27H28N2O3/c1-3-4-9-20-16-23-24(17-25(20)32-15-14-31-22-11-6-5-7-12-22)29-19(2)26(27(23)30)21-10-8-13-28-18-21/h5-8,10-13,16-18H,3-4,9,14-15H2,1-2H3,(H,29,30)
InChIKeyZEAQKEPEHMVMOR-UHFFFAOYSA-N
MW428.53 g/mol
LogP5.70
Rot. Bonds9

About 6-butyl-2-methyl-7-(2-phenoxyethoxy)-3-pyridin-3-yl-1H-quinolin-4-one

6-butyl-2-methyl-7-(2-phenoxyethoxy)-3-pyridin-3-yl-1H-quinolin-4-one (PubChem CID 56925876) has the molecular formula C27H28N2O3 and a molecular weight of 428.53 g/mol. Its IUPAC name is 6-butyl-2-methyl-7-(2-phenoxyethoxy)-3-pyridin-3-yl-1H-quinolin-4-one.

Molecular Properties

Compound Name6-butyl-2-methyl-7-(2-phenoxyethoxy)-3-pyridin-3-yl-1H-quinolin-4-one
PubChem CID56925876
Molecular FormulaC27H28N2O3
Molecular Weight428.53 g/mol
Exact Mass428.21
IUPAC Name6-butyl-2-methyl-7-(2-phenoxyethoxy)-3-pyridin-3-yl-1H-quinolin-4-one
SMILESCCCCc1cc2c(=O)c(-c3cccnc3)c(C)[nH]c2cc1OCCOc1ccccc1
InChIInChI=1S/C27H28N2O3/c1-3-4-9-20-16-23-24(17-25(20)32-15-14-31-22-11-6-5-7-12-22)29-19(2)26(27(23)30)21-10-8-13-28-18-21/h5-8,10-13,16-18H,3-4,9,14-15H2,1-2H3,(H,29,30)
InChIKeyZEAQKEPEHMVMOR-UHFFFAOYSA-N
XLogP5.70
TPSA64.21 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500428.53
LogP ≤ 55.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 6-butyl-2-methyl-7-(2-phenoxyethoxy)-3-pyridin-3-yl-1H-quinolin-4-one with MolForge

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Related Compounds

7-Methoxy-3-methyl-2-[5-[4-(trifluoromethyloxy)phenyl]pyridin-3-yl]quinolin-4-ol
CID 67617600
4-(2,3-Dihydro-benzo[1,4]dioxin-6-ylamino)-quinoline-3,6-dicarboxylic acid 3-ethyl ester 6-methyl ester
CID 1162380
3-(3-Dimethylamino-propyl)-4-methoxy-N-(4-pyridin-4-yl-phenyl)-benzamide
CID 10068933
8-(1-Anilinoethyl)-6-methyl-2-pyridin-4-ylchromen-4-one
CID 16757576
4-(2,4-Difluoroanilino)-7-ethoxy-6-(1-methylpiperidin-4-yl)quinoline-3-carboxamide
CID 24795066
5-methoxy-2-(2-phenoxypyridin-3-yl)-4H-benzo[d][1,3]oxazin-4-one
CID 24999408
(6-methoxy-1H-indol-3-yl)(2-(quinolin-6-ylmethylamino)phenyl)methanone
CID 44577878
3-methyl-2-[6-[4-(trifluoromethoxy)phenyl]-3-pyridyl]-1H-quinolin-4-one
CID 56965339
7-ethoxy-6-pyridin-3-yl-3,4-dihydro-1H-quinolin-2-one
CID 58255415
5,7-difluoro-3-methyl-2-[6-[4-(trifluoromethoxy)phenyl]-3-pyridyl]-1H-quinolin-4-one
CID 67616120
6,7-difluoro-3-methyl-2-[6-[4-(trifluoromethoxy)phenyl]-3-pyridyl]-1H-quinolin-4-one
CID 67616993
7-fluoro-3-methyl-2-[6-[4-(trifluoromethoxy)phenyl]-3-pyridyl]-1H-quinolin-4-one
CID 67617142

Frequently Asked Questions

What is the IUPAC name of 6-butyl-2-methyl-7-(2-phenoxyethoxy)-3-pyridin-3-yl-1H-quinolin-4-one?
The IUPAC name of 6-butyl-2-methyl-7-(2-phenoxyethoxy)-3-pyridin-3-yl-1H-quinolin-4-one (CID 56925876) is 6-butyl-2-methyl-7-(2-phenoxyethoxy)-3-pyridin-3-yl-1H-quinolin-4-one.
What is the SMILES notation for 6-butyl-2-methyl-7-(2-phenoxyethoxy)-3-pyridin-3-yl-1H-quinolin-4-one?
The canonical SMILES for 6-butyl-2-methyl-7-(2-phenoxyethoxy)-3-pyridin-3-yl-1H-quinolin-4-one is CCCCc1cc2c(=O)c(-c3cccnc3)c(C)[nH]c2cc1OCCOc1ccccc1.
What is the InChIKey of 6-butyl-2-methyl-7-(2-phenoxyethoxy)-3-pyridin-3-yl-1H-quinolin-4-one?
The InChIKey is ZEAQKEPEHMVMOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H28N2O3/c1-3-4-9-20-16-23-24(17-25(20)32-15-14-31-22-11-6-5-7-12-22)29-19(2)26(27(23)30)21-10-8-13-28-18-21/h5-8,10-13,16-18H,3-4,9,14-15H2,1-2H3,(H,29,30).
What are the key properties of 6-butyl-2-methyl-7-(2-phenoxyethoxy)-3-pyridin-3-yl-1H-quinolin-4-one?
6-butyl-2-methyl-7-(2-phenoxyethoxy)-3-pyridin-3-yl-1H-quinolin-4-one has a molecular weight of 428.53 g/mol, XLogP of 5.70, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-butyl-2-methyl-7-(2-phenoxyethoxy)-3-pyridin-3-yl-1H-quinolin-4-one is sourced from PubChem (CID 56925876), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).