1,5,5,6,6,6a,11-heptamethyl-11H-isoindolo[2,1-a]quinoline

C23H29N — CID 162295631

IUPAC1,5,5,6,6,6a,11-heptamethyl-11H-isoindolo[2,1-a]quinoline
SMILESCc1cccc2c1N1C(C)c3ccccc3C1(C)C(C)(C)C2(C)C
InChIInChI=1S/C23H29N/c1-15-11-10-14-19-20(15)24-16(2)17-12-8-9-13-18(17)23(24,7)22(5,6)21(19,3)4/h8-14,16H,1-7H3
InChIKeyAJBVIEAUHZNUAU-UHFFFAOYSA-N
MW319.49 g/mol
LogP6.11
Rot. Bonds

About 1,5,5,6,6,6a,11-heptamethyl-11H-isoindolo[2,1-a]quinoline

1,5,5,6,6,6a,11-heptamethyl-11H-isoindolo[2,1-a]quinoline (PubChem CID 162295631) has the molecular formula C23H29N and a molecular weight of 319.49 g/mol. Its IUPAC name is 1,5,5,6,6,6a,11-heptamethyl-11H-isoindolo[2,1-a]quinoline.

Molecular Properties

Compound Name1,5,5,6,6,6a,11-heptamethyl-11H-isoindolo[2,1-a]quinoline
PubChem CID162295631
Molecular FormulaC23H29N
Molecular Weight319.49 g/mol
Exact Mass319.23
IUPAC Name1,5,5,6,6,6a,11-heptamethyl-11H-isoindolo[2,1-a]quinoline
SMILESCc1cccc2c1N1C(C)c3ccccc3C1(C)C(C)(C)C2(C)C
InChIInChI=1S/C23H29N/c1-15-11-10-14-19-20(15)24-16(2)17-12-8-9-13-18(17)23(24,7)22(5,6)21(19,3)4/h8-14,16H,1-7H3
InChIKeyAJBVIEAUHZNUAU-UHFFFAOYSA-N
XLogP6.11
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500319.49
LogP ≤ 56.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

1,10,13,18,18,19,19-heptamethyl-3,7-dioxa-11-azapentacyclo[9.8.0.02,9.04,8.012,17]nonadeca-2(9),4(8),5,12,14,16-hexaene
CID 162295910
1,10,13,18,18,19,19-heptamethyl-5-oxa-3-thia-11-azapentacyclo[9.8.0.02,9.04,8.012,17]nonadeca-2(9),4(8),6,12,14,16-hexaene
CID 162295960
1,10,13,18,18,19,19-heptamethyl-3-oxa-7-thia-11-azapentacyclo[9.8.0.02,9.04,8.012,17]nonadeca-2(9),4(8),5,12,14,16-hexaene
CID 162295913
1,3,10,13,18,18,19,19-octamethyl-3,5,8,11-tetrazapentacyclo[9.8.0.02,9.04,8.012,17]nonadeca-2(9),4,6,12,14,16-hexaene
CID 162295770
(2R,3S)-1,2-dimethyl-3-(2-methylphenyl)aziridine
CID 25150642
1,6-dimethyl-5-(2-methylphenyl)spiro[6H-pyrrolo[2,3-c]pyrrole-4,2'-adamantane];1,6-dimethyl-5-(2-methylphenyl)spiro[6H-pyrrolo[2,3-c]pyrrole-4,1'-cyclohexane];1,6-dimethyl-5-(2-methylphenyl)spiro[6H-pyrrolo[2,3-c]pyrrole-4,1'-cyclopentane];6-methyl-5-(2-methylphenyl)spiro[6H-furo[2,3-c]pyrrole-4,1'-cyclopentane];bis(3,8,8,9,9,10,14,16-octamethyl-1,14-diazatetracyclo[8.6.0.02,7.011,15]hexadeca-2,4,6,11(15),12-pentaene)
CID 162295658
2-hydroxy-1,3,3-trimethyl-1H-isoindole
CID 67547990
bis(3,8,8,9,9,10,17-heptamethyl-1,12,15-triazatetracyclo[8.7.0.02,7.011,16]heptadeca-2,4,6,11,13,15-hexaene);7-methyl-6-(2-methylphenyl)spiro[7H-pyrrolo[3,4-b]pyrazine-5,2'-adamantane];7-methyl-6-(2-methylphenyl)spiro[7H-pyrrolo[3,4-b]pyrazine-5,1'-cyclohexane];7-methyl-6-(2-methylphenyl)spiro[7H-pyrrolo[3,4-b]pyrazine-5,1'-cyclopentane];7-methyl-6-(2-methylphenyl)spiro[7H-pyrrolo[3,4-d]pyrimidine-5,1'-cyclopentane]
CID 162295693
1,5,13,18,18,19,19-heptamethyl-3,5,8,11-tetrazapentacyclo[9.8.0.02,9.04,8.012,17]nonadeca-2(9),3,6,12,14,16-hexaene
CID 158229879
(2S,3R)-1,2,3-trimethyl-2-(2-methylphenyl)aziridine
CID 25150644
3,9-dimethyl-4-(2-methylphenyl)spiro[7-thia-4,9-diazatricyclo[6.3.0.02,6]undeca-1(8),2(6),10-triene-5,2'-adamantane];3-methyl-4-(2-methylphenyl)spiro[9-oxa-7-thia-4-azatricyclo[6.3.0.02,6]undeca-1(8),2(6),10-triene-5,2'-adamantane];3-methyl-4-(2-methylphenyl)spiro[9-oxa-7-thia-4-azatricyclo[6.3.0.02,6]undeca-1(8),2(6),10-triene-5,1'-cyclohexane];3-methyl-4-(2-methylphenyl)spiro[9-oxa-7-thia-4-azatricyclo[6.3.0.02,6]undeca-1(8),2(6),10-triene-5,1'-cyclopentane];bis(1,5,10,13,18,18,19,19-octamethyl-3-thia-5,11-diazapentacyclo[9.8.0.02,9.04,8.012,17]nonadeca-2(9),4(8),6,12,14,16-hexaene)
CID 162295949
bis(1,11,14,19,19,20,20-heptamethyl-3-thia-8,12-diazapentacyclo[10.8.0.02,10.04,9.013,18]icosa-2(10),4(9),5,7,13,15,17-heptaene);3-methyl-4-(2-methylphenyl)spiro[7-thia-4,9-diazatricyclo[6.4.0.02,6]dodeca-1(8),2(6),9,11-tetraene-5,2'-adamantane];3-methyl-4-(2-methylphenyl)spiro[7-thia-4,9-diazatricyclo[6.4.0.02,6]dodeca-1(8),2(6),9,11-tetraene-5,1'-cyclohexane];3-methyl-4-(2-methylphenyl)spiro[7-thia-4,9-diazatricyclo[6.4.0.02,6]dodeca-1(8),2(6),9,11-tetraene-5,1'-cyclopentane]
CID 162295948

Frequently Asked Questions

What is the IUPAC name of 1,5,5,6,6,6a,11-heptamethyl-11H-isoindolo[2,1-a]quinoline?
The IUPAC name of 1,5,5,6,6,6a,11-heptamethyl-11H-isoindolo[2,1-a]quinoline (CID 162295631) is 1,5,5,6,6,6a,11-heptamethyl-11H-isoindolo[2,1-a]quinoline.
What is the SMILES notation for 1,5,5,6,6,6a,11-heptamethyl-11H-isoindolo[2,1-a]quinoline?
The canonical SMILES for 1,5,5,6,6,6a,11-heptamethyl-11H-isoindolo[2,1-a]quinoline is Cc1cccc2c1N1C(C)c3ccccc3C1(C)C(C)(C)C2(C)C.
What is the InChIKey of 1,5,5,6,6,6a,11-heptamethyl-11H-isoindolo[2,1-a]quinoline?
The InChIKey is AJBVIEAUHZNUAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H29N/c1-15-11-10-14-19-20(15)24-16(2)17-12-8-9-13-18(17)23(24,7)22(5,6)21(19,3)4/h8-14,16H,1-7H3.
What are the key properties of 1,5,5,6,6,6a,11-heptamethyl-11H-isoindolo[2,1-a]quinoline?
1,5,5,6,6,6a,11-heptamethyl-11H-isoindolo[2,1-a]quinoline has a molecular weight of 319.49 g/mol, XLogP of 6.11, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,5,5,6,6,6a,11-heptamethyl-11H-isoindolo[2,1-a]quinoline is sourced from PubChem (CID 162295631), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).