2-tert-butyl-8-methyl-9-[(5-methylcyclohexa-1,3-dien-1-yl)amino]quinolizin-4-one

C21H26N2O — CID 144730517

IUPAC2-tert-butyl-8-methyl-9-[(5-methylcyclohexa-1,3-dien-1-yl)amino]quinolizin-4-one
SMILESCc1ccn2c(=O)cc(C(C)(C)C)cc2c1NC1=CC=CC(C)C1
InChIInChI=1S/C21H26N2O/c1-14-7-6-8-17(11-14)22-20-15(2)9-10-23-18(20)12-16(13-19(23)24)21(3,4)5/h6-10,12-14,22H,11H2,1-5H3
InChIKeySWGFJEMTKNGTAE-UHFFFAOYSA-N
MW322.45 g/mol
LogP4.80
Rot. Bonds2

About 2-tert-butyl-8-methyl-9-[(5-methylcyclohexa-1,3-dien-1-yl)amino]quinolizin-4-one

2-tert-butyl-8-methyl-9-[(5-methylcyclohexa-1,3-dien-1-yl)amino]quinolizin-4-one (PubChem CID 144730517) has the molecular formula C21H26N2O and a molecular weight of 322.45 g/mol. Its IUPAC name is 2-tert-butyl-8-methyl-9-[(5-methylcyclohexa-1,3-dien-1-yl)amino]quinolizin-4-one.

Molecular Properties

Compound Name2-tert-butyl-8-methyl-9-[(5-methylcyclohexa-1,3-dien-1-yl)amino]quinolizin-4-one
PubChem CID144730517
Molecular FormulaC21H26N2O
Molecular Weight322.45 g/mol
Exact Mass322.20
IUPAC Name2-tert-butyl-8-methyl-9-[(5-methylcyclohexa-1,3-dien-1-yl)amino]quinolizin-4-one
SMILESCc1ccn2c(=O)cc(C(C)(C)C)cc2c1NC1=CC=CC(C)C1
InChIInChI=1S/C21H26N2O/c1-14-7-6-8-17(11-14)22-20-15(2)9-10-23-18(20)12-16(13-19(23)24)21(3,4)5/h6-10,12-14,22H,11H2,1-5H3
InChIKeySWGFJEMTKNGTAE-UHFFFAOYSA-N
XLogP4.80
TPSA33.51 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.45
LogP ≤ 54.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-tert-butyl-8-methyl-9-[(5-methylcyclohexa-1,3-dien-1-yl)amino]quinolizin-4-one with MolForge

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Related Compounds

3-Amino-1-[(4-fluorocyclohexa-2,4-dien-1-yl)methyl]-6,7-dihydroquinolin-2-one
CID 123688124
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CID 163765707
N-(1H-pyrido[1,2-f]phenanthridin-7-yl)acetamide
CID 88616458
5-[[(E)-6,6-dimethyl-4-methylidenehept-2-en-2-yl]amino]-2H-isoquinolin-3-one
CID 143637065
2-methyl-2-[(6Z)-1-methyl-6-prop-2-enylidene-3-pyridinyl]-N-propylpropanamide
CID 155349540
8-Propan-2-yl-1,2,3,4-tetrahydropyrido[1,2-a]pyrazin-6-one
CID 172614504
N-[2-(diethylamino)ethyl]-5lambda3-ioda-2-azatricyclo[8.4.0.03,8]tetradeca-1(14),4,6,9,12-pentaene-14-carboxamide
CID 88876213
5-amino-1-[2-(4-methyl-3,6-dihydro-2H-pyridin-1-yl)ethyl]pyridin-2-one
CID 113588602
5-amino-1-[2-(4-tert-butyl-3,6-dihydro-2H-pyridin-1-yl)ethyl]pyridin-2-one
CID 114461976
2,9-Ditert-butylquinolizin-4-one
CID 140746739
2-(7-but-1-en-2-yl-5-oxo-3-propan-2-yl-1,2,3,4-tetrahydropyrido[3,4-b]pyrazin-6-yl)-N-(2-methylidenebut-3-enyl)acetamide
CID 142232622

Frequently Asked Questions

What is the IUPAC name of 2-tert-butyl-8-methyl-9-[(5-methylcyclohexa-1,3-dien-1-yl)amino]quinolizin-4-one?
The IUPAC name of 2-tert-butyl-8-methyl-9-[(5-methylcyclohexa-1,3-dien-1-yl)amino]quinolizin-4-one (CID 144730517) is 2-tert-butyl-8-methyl-9-[(5-methylcyclohexa-1,3-dien-1-yl)amino]quinolizin-4-one.
What is the SMILES notation for 2-tert-butyl-8-methyl-9-[(5-methylcyclohexa-1,3-dien-1-yl)amino]quinolizin-4-one?
The canonical SMILES for 2-tert-butyl-8-methyl-9-[(5-methylcyclohexa-1,3-dien-1-yl)amino]quinolizin-4-one is Cc1ccn2c(=O)cc(C(C)(C)C)cc2c1NC1=CC=CC(C)C1.
What is the InChIKey of 2-tert-butyl-8-methyl-9-[(5-methylcyclohexa-1,3-dien-1-yl)amino]quinolizin-4-one?
The InChIKey is SWGFJEMTKNGTAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26N2O/c1-14-7-6-8-17(11-14)22-20-15(2)9-10-23-18(20)12-16(13-19(23)24)21(3,4)5/h6-10,12-14,22H,11H2,1-5H3.
What are the key properties of 2-tert-butyl-8-methyl-9-[(5-methylcyclohexa-1,3-dien-1-yl)amino]quinolizin-4-one?
2-tert-butyl-8-methyl-9-[(5-methylcyclohexa-1,3-dien-1-yl)amino]quinolizin-4-one has a molecular weight of 322.45 g/mol, XLogP of 4.80, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-tert-butyl-8-methyl-9-[(5-methylcyclohexa-1,3-dien-1-yl)amino]quinolizin-4-one is sourced from PubChem (CID 144730517), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).