1,3-dimethoxy-5-methylquinolino[2,3-b]quinolin-12-one

C19H16N2O3 — CID 68586093

IUPAC1,3-dimethoxy-5-methylquinolino[2,3-b]quinolin-12-one
SMILESCOc1cc(OC)c2c(=O)c3cc4ccccc4nc3n(C)c2c1
InChIInChI=1S/C19H16N2O3/c1-21-15-9-12(23-2)10-16(24-3)17(15)18(22)13-8-11-6-4-5-7-14(11)20-19(13)21/h4-10H,1-3H3
InChIKeyRGKDVKBFHJDPGG-UHFFFAOYSA-N
MW320.35 g/mol
LogP3.26
Rot. Bonds2

About 1,3-dimethoxy-5-methylquinolino[2,3-b]quinolin-12-one

1,3-dimethoxy-5-methylquinolino[2,3-b]quinolin-12-one (PubChem CID 68586093) has the molecular formula C19H16N2O3 and a molecular weight of 320.35 g/mol. Its IUPAC name is 1,3-dimethoxy-5-methylquinolino[2,3-b]quinolin-12-one.

Molecular Properties

Compound Name1,3-dimethoxy-5-methylquinolino[2,3-b]quinolin-12-one
PubChem CID68586093
Molecular FormulaC19H16N2O3
Molecular Weight320.35 g/mol
Exact Mass320.12
IUPAC Name1,3-dimethoxy-5-methylquinolino[2,3-b]quinolin-12-one
SMILESCOc1cc(OC)c2c(=O)c3cc4ccccc4nc3n(C)c2c1
InChIInChI=1S/C19H16N2O3/c1-21-15-9-12(23-2)10-16(24-3)17(15)18(22)13-8-11-6-4-5-7-14(11)20-19(13)21/h4-10H,1-3H3
InChIKeyRGKDVKBFHJDPGG-UHFFFAOYSA-N
XLogP3.26
TPSA53.35 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.35
LogP ≤ 53.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}

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Related Compounds

3-(2,3-dihydroxypropoxy)-1-methoxy-10-methylacridin-9-one
CID 45113521
5,12-diethyl-1,3,8,10-tetramethoxyquinolino[2,3-b]acridine-7,14-dione
CID 141053736
azane;1-hydroxy-3-methoxy-10-methylacridin-9-one
CID 87099944
6,13-bis(2,4,6-trimethoxyphenyl)pentacene
CID 141153743
5-methoxy-10-methyl-1,3-di(propan-2-yloxy)acridin-9-one
CID 11523258
6-methoxy-12-methylbenzo[b][1,10]phenanthrolin-7-one
CID 11077129
24-methyl-2-oxa-16,23,25-triazahexacyclo[12.11.0.03,12.05,10.015,23.017,22]pentacosa-1(14),3,5,7,9,11,15,17,19,21,24-undecaen-13-one
CID 4900478
(5R,6R)-5,6-dihydroxy-11-methoxy-2,7,7-trimethyl-8-oxa-2,15-diazapentacyclo[12.8.0.03,12.04,9.016,21]docosa-1(22),3,9,11,14,16,18,20-octaen-13-one
CID 68587948
[5-(3,5-dimethoxyphenyl)-8-methyl-5,7,9,16-tetrazatetracyclo[7.7.0.02,6.010,15]hexadeca-1(16),2(6),3,7,10,12,14-heptaen-3-yl] acetate
CID 4891347
3-(aminomethyl)-5,7-dimethoxy-1,4-dimethylquinolin-2-one
CID 84638829
1-hydroxy-2,3-dimethoxy-10-methylacridin-9-one
CID 5281832
14-methyl-11-phenyl-3,10,12,14-tetrazapentacyclo[11.8.0.02,10.04,9.015,20]henicosa-1(13),2,4,6,8,11,15,17,19-nonaen-21-one
CID 4910195

Frequently Asked Questions

What is the IUPAC name of 1,3-dimethoxy-5-methylquinolino[2,3-b]quinolin-12-one?
The IUPAC name of 1,3-dimethoxy-5-methylquinolino[2,3-b]quinolin-12-one (CID 68586093) is 1,3-dimethoxy-5-methylquinolino[2,3-b]quinolin-12-one.
What is the SMILES notation for 1,3-dimethoxy-5-methylquinolino[2,3-b]quinolin-12-one?
The canonical SMILES for 1,3-dimethoxy-5-methylquinolino[2,3-b]quinolin-12-one is COc1cc(OC)c2c(=O)c3cc4ccccc4nc3n(C)c2c1.
What is the InChIKey of 1,3-dimethoxy-5-methylquinolino[2,3-b]quinolin-12-one?
The InChIKey is RGKDVKBFHJDPGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16N2O3/c1-21-15-9-12(23-2)10-16(24-3)17(15)18(22)13-8-11-6-4-5-7-14(11)20-19(13)21/h4-10H,1-3H3.
What are the key properties of 1,3-dimethoxy-5-methylquinolino[2,3-b]quinolin-12-one?
1,3-dimethoxy-5-methylquinolino[2,3-b]quinolin-12-one has a molecular weight of 320.35 g/mol, XLogP of 3.26, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-dimethoxy-5-methylquinolino[2,3-b]quinolin-12-one is sourced from PubChem (CID 68586093), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).