6-methoxy-3,12-dimethyl-3-(4-methylpentyl)-1,2-dihydropyrano[2,3-c]acridin-7-one

C25H31NO3 — CID 66550445

IUPAC6-methoxy-3,12-dimethyl-3-(4-methylpentyl)-1,2-dihydropyrano[2,3-c]acridin-7-one
SMILESCOc1cc2c(c3c1c(=O)c1ccccc1n3C)CCC(C)(CCCC(C)C)O2
InChIInChI=1S/C25H31NO3/c1-16(2)9-8-13-25(3)14-12-18-20(29-25)15-21(28-5)22-23(18)26(4)19-11-7-6-10-17(19)24(22)27/h6-7,10-11,15-16H,8-9,12-14H2,1-5H3
InChIKeyVDLNDFSAEVOUDX-UHFFFAOYSA-N
MW393.53 g/mol
LogP5.61
Rot. Bonds5

About 6-methoxy-3,12-dimethyl-3-(4-methylpentyl)-1,2-dihydropyrano[2,3-c]acridin-7-one

6-methoxy-3,12-dimethyl-3-(4-methylpentyl)-1,2-dihydropyrano[2,3-c]acridin-7-one (PubChem CID 66550445) has the molecular formula C25H31NO3 and a molecular weight of 393.53 g/mol. Its IUPAC name is 6-methoxy-3,12-dimethyl-3-(4-methylpentyl)-1,2-dihydropyrano[2,3-c]acridin-7-one.

Molecular Properties

Compound Name6-methoxy-3,12-dimethyl-3-(4-methylpentyl)-1,2-dihydropyrano[2,3-c]acridin-7-one
PubChem CID66550445
Molecular FormulaC25H31NO3
Molecular Weight393.53 g/mol
Exact Mass393.23
IUPAC Name6-methoxy-3,12-dimethyl-3-(4-methylpentyl)-1,2-dihydropyrano[2,3-c]acridin-7-one
SMILESCOc1cc2c(c3c1c(=O)c1ccccc1n3C)CCC(C)(CCCC(C)C)O2
InChIInChI=1S/C25H31NO3/c1-16(2)9-8-13-25(3)14-12-18-20(29-25)15-21(28-5)22-23(18)26(4)19-11-7-6-10-17(19)24(22)27/h6-7,10-11,15-16H,8-9,12-14H2,1-5H3
InChIKeyVDLNDFSAEVOUDX-UHFFFAOYSA-N
XLogP5.61
TPSA40.46 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500393.53
LogP ≤ 55.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 6-methoxy-3,12-dimethyl-3-(4-methylpentyl)-1,2-dihydropyrano[2,3-c]acridin-7-one with MolForge

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Related Compounds

6-hydroxy-3,3,12-trimethyl-1,2-dihydropyrano[2,3-c]acridin-7-one
CID 5483895
1,2-dihydroxy-6-methoxy-3,3,12-trimethyl-1,2-dihydropyrano[2,3-c]acridin-7-one
CID 21125486
(1R,2S)-1-hydroxy-2-iodo-6-methoxy-3,3,12-trimethyl-1,2-dihydropyrano[2,3-c]acridin-7-one
CID 100974610
(3S,7S)-12-methoxy-8,8,21-trimethyl-5-sulfanylidene-4,6,9-trioxa-21-azapentacyclo[11.8.0.02,10.03,7.015,20]henicosa-1,10,12,15,17,19-hexaen-14-one
CID 100974618
[(1R,2S)-1-benzylsulfanyl-6-methoxy-3,3,12-trimethyl-7-oxo-1,2-dihydropyrano[2,3-c]acridin-2-yl] acetate
CID 10839201
(6R)-10-methoxy-2-methyl-6-(2-methyloxiran-2-yl)-7-oxa-2-azapentacyclo[11.8.0.03,11.04,8.015,20]henicosa-1(21),3,8,10,13,15,17,19-octaen-12-one
CID 90784395
[(5R,6R)-6-[di(propan-2-yl)carbamoyloxy]-11-methoxy-2,7,7-trimethyl-13-oxo-8-oxa-2-azapentacyclo[12.8.0.03,12.04,9.016,21]docosa-1(22),3,9,11,14,16,18,20-octaen-5-yl] N,N-di(propan-2-yl)carbamate
CID 11181375
5,6-diamino-11-methoxy-2,7,7-trimethyl-8-oxa-2-azapentacyclo[12.8.0.03,12.04,9.016,21]docosa-1(22),3,9,11,14,16,18,20-octaen-13-one
CID 22064527
6-methoxy-12-methylbenzo[b][1,10]phenanthrolin-7-one
CID 11077129
5-amino-6-hydroxy-11-methoxy-2,7,7-trimethyl-8-oxa-2-azapentacyclo[12.8.0.03,12.04,9.016,21]docosa-1(22),3,9,11,14,16,18,20-octaen-13-one
CID 22064540
2-(3,4-dimethoxyphenyl)-5,6,7,8-tetramethoxychromen-4-one;(2R)-2,5,7,8-tetramethyl-2-[(4R,8R)-4,8,12-trimethyltridecyl]-3,4-dihydrochromen-6-ol
CID 11984539
3-(2,3-dihydroxypropoxy)-1-methoxy-10-methylacridin-9-one
CID 45113521

Frequently Asked Questions

What is the IUPAC name of 6-methoxy-3,12-dimethyl-3-(4-methylpentyl)-1,2-dihydropyrano[2,3-c]acridin-7-one?
The IUPAC name of 6-methoxy-3,12-dimethyl-3-(4-methylpentyl)-1,2-dihydropyrano[2,3-c]acridin-7-one (CID 66550445) is 6-methoxy-3,12-dimethyl-3-(4-methylpentyl)-1,2-dihydropyrano[2,3-c]acridin-7-one.
What is the SMILES notation for 6-methoxy-3,12-dimethyl-3-(4-methylpentyl)-1,2-dihydropyrano[2,3-c]acridin-7-one?
The canonical SMILES for 6-methoxy-3,12-dimethyl-3-(4-methylpentyl)-1,2-dihydropyrano[2,3-c]acridin-7-one is COc1cc2c(c3c1c(=O)c1ccccc1n3C)CCC(C)(CCCC(C)C)O2.
What is the InChIKey of 6-methoxy-3,12-dimethyl-3-(4-methylpentyl)-1,2-dihydropyrano[2,3-c]acridin-7-one?
The InChIKey is VDLNDFSAEVOUDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H31NO3/c1-16(2)9-8-13-25(3)14-12-18-20(29-25)15-21(28-5)22-23(18)26(4)19-11-7-6-10-17(19)24(22)27/h6-7,10-11,15-16H,8-9,12-14H2,1-5H3.
What are the key properties of 6-methoxy-3,12-dimethyl-3-(4-methylpentyl)-1,2-dihydropyrano[2,3-c]acridin-7-one?
6-methoxy-3,12-dimethyl-3-(4-methylpentyl)-1,2-dihydropyrano[2,3-c]acridin-7-one has a molecular weight of 393.53 g/mol, XLogP of 5.61, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methoxy-3,12-dimethyl-3-(4-methylpentyl)-1,2-dihydropyrano[2,3-c]acridin-7-one is sourced from PubChem (CID 66550445), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).