1,3,3,7,9'-pentamethylspiro[indole-2,2'-pyrano[3,2-h]quinoline]

C24H24N2O — CID 19083791

IUPAC1,3,3,7,9'-pentamethylspiro[indole-2,2'-pyrano[3,2-h]quinoline]
SMILESCc1ccc2ccc3c(c2n1)OC1(C=C3)N(C)c2c(C)cccc2C1(C)C
InChIInChI=1S/C24H24N2O/c1-15-7-6-8-19-21(15)26(5)24(23(19,3)4)14-13-18-12-11-17-10-9-16(2)25-20(17)22(18)27-24/h6-14H,1-5H3
InChIKeyNYBVMEWDGITXKT-UHFFFAOYSA-N
MW356.47 g/mol
LogP5.38
Rot. Bonds

About 1,3,3,7,9'-pentamethylspiro[indole-2,2'-pyrano[3,2-h]quinoline]

1,3,3,7,9'-pentamethylspiro[indole-2,2'-pyrano[3,2-h]quinoline] (PubChem CID 19083791) has the molecular formula C24H24N2O and a molecular weight of 356.47 g/mol. Its IUPAC name is 1,3,3,7,9'-pentamethylspiro[indole-2,2'-pyrano[3,2-h]quinoline].

Molecular Properties

Compound Name1,3,3,7,9'-pentamethylspiro[indole-2,2'-pyrano[3,2-h]quinoline]
PubChem CID19083791
Molecular FormulaC24H24N2O
Molecular Weight356.47 g/mol
Exact Mass356.19
IUPAC Name1,3,3,7,9'-pentamethylspiro[indole-2,2'-pyrano[3,2-h]quinoline]
SMILESCc1ccc2ccc3c(c2n1)OC1(C=C3)N(C)c2c(C)cccc2C1(C)C
InChIInChI=1S/C24H24N2O/c1-15-7-6-8-19-21(15)26(5)24(23(19,3)4)14-13-18-12-11-17-10-9-16(2)25-20(17)22(18)27-24/h6-14H,1-5H3
InChIKeyNYBVMEWDGITXKT-UHFFFAOYSA-N
XLogP5.38
TPSA25.36 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500356.47
LogP ≤ 55.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1,3,3,7,9'-pentamethylspiro[indole-2,2'-pyrano[3,2-h]quinoline]?
The IUPAC name of 1,3,3,7,9'-pentamethylspiro[indole-2,2'-pyrano[3,2-h]quinoline] (CID 19083791) is 1,3,3,7,9'-pentamethylspiro[indole-2,2'-pyrano[3,2-h]quinoline].
What is the SMILES notation for 1,3,3,7,9'-pentamethylspiro[indole-2,2'-pyrano[3,2-h]quinoline]?
The canonical SMILES for 1,3,3,7,9'-pentamethylspiro[indole-2,2'-pyrano[3,2-h]quinoline] is Cc1ccc2ccc3c(c2n1)OC1(C=C3)N(C)c2c(C)cccc2C1(C)C.
What is the InChIKey of 1,3,3,7,9'-pentamethylspiro[indole-2,2'-pyrano[3,2-h]quinoline]?
The InChIKey is NYBVMEWDGITXKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24N2O/c1-15-7-6-8-19-21(15)26(5)24(23(19,3)4)14-13-18-12-11-17-10-9-16(2)25-20(17)22(18)27-24/h6-14H,1-5H3.
What are the key properties of 1,3,3,7,9'-pentamethylspiro[indole-2,2'-pyrano[3,2-h]quinoline]?
1,3,3,7,9'-pentamethylspiro[indole-2,2'-pyrano[3,2-h]quinoline] has a molecular weight of 356.47 g/mol, XLogP of 5.38, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3,3,7,9'-pentamethylspiro[indole-2,2'-pyrano[3,2-h]quinoline] is sourced from PubChem (CID 19083791), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).