1,3,3-trimethylspiro[indole-2,2'-pyrano[3,2-h]quinoline]

C22H20N2O — CID 59095537

IUPAC1,3,3-trimethylspiro[indole-2,2'-pyrano[3,2-h]quinoline]
SMILESCN1c2ccccc2C(C)(C)C12C=Cc1ccc3cccnc3c1O2
InChIInChI=1S/C22H20N2O/c1-21(2)17-8-4-5-9-18(17)24(3)22(21)13-12-16-11-10-15-7-6-14-23-19(15)20(16)25-22/h4-14H,1-3H3
InChIKeyIBCKZLXJMDGNLQ-UHFFFAOYSA-N
MW328.42 g/mol
LogP4.76
Rot. Bonds

About 1,3,3-trimethylspiro[indole-2,2'-pyrano[3,2-h]quinoline]

1,3,3-trimethylspiro[indole-2,2'-pyrano[3,2-h]quinoline] (PubChem CID 59095537) has the molecular formula C22H20N2O and a molecular weight of 328.42 g/mol. Its IUPAC name is 1,3,3-trimethylspiro[indole-2,2'-pyrano[3,2-h]quinoline].

Molecular Properties

Compound Name1,3,3-trimethylspiro[indole-2,2'-pyrano[3,2-h]quinoline]
PubChem CID59095537
Molecular FormulaC22H20N2O
Molecular Weight328.42 g/mol
Exact Mass328.16
IUPAC Name1,3,3-trimethylspiro[indole-2,2'-pyrano[3,2-h]quinoline]
SMILESCN1c2ccccc2C(C)(C)C12C=Cc1ccc3cccnc3c1O2
InChIInChI=1S/C22H20N2O/c1-21(2)17-8-4-5-9-18(17)24(3)22(21)13-12-16-11-10-15-7-6-14-23-19(15)20(16)25-22/h4-14H,1-3H3
InChIKeyIBCKZLXJMDGNLQ-UHFFFAOYSA-N
XLogP4.76
TPSA25.36 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.42
LogP ≤ 54.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1,3,3,7,9'-pentamethylspiro[indole-2,2'-pyrano[3,2-h]quinoline]
CID 19083791
1-ethyl-3,3,6'-trimethylspiro[indole-2,2'-pyrano[3,2-h]quinoline]
CID 19083981
(2S)-8-bromo-6-chloro-1',3',3'-trimethylspiro[chromene-2,2'-indole]
CID 139206872
1,3,3,5'-tetramethylspiro[indole-2,2'-pyrano[3,2-c]quinoline]
CID 19084178
1,3,3-trimethylspiro[indole-2,2'-naphtho[2,1-f]chromene]
CID 19084395
(2S)-8-bromo-1',3',3'-trimethyl-6-nitrospiro[chromene-2,2'-indole]
CID 6999379
spiro[adamantane-2,2'-pyrano[3,2-h]quinoline]
CID 54220309
(2S)-1',3',3'-trimethyl-7-nitrospiro[chromene-2,2'-indole]
CID 40636806
N,N-diethyl-1',3',3'-trimethylspiro[chromene-2,2'-indole]-7-amine
CID 3952387
8-bromo-1',3',3'-trimethylspiro[chromene-2,2'-indole]-6-carbaldehyde
CID 5182854
1-(6-tert-butyl-1',3',3'-trimethylspiro[chromene-2,2'-indole]-8-yl)-N,N-dimethylmethanamine
CID 101403945
6-[2,6-bis(4-methylphenyl)-4-phenylpyridin-1-ium-1-yl]-1',3',3'-trimethyl-8-phenylspiro[chromene-2,2'-indole]
CID 10908923

Frequently Asked Questions

What is the IUPAC name of 1,3,3-trimethylspiro[indole-2,2'-pyrano[3,2-h]quinoline]?
The IUPAC name of 1,3,3-trimethylspiro[indole-2,2'-pyrano[3,2-h]quinoline] (CID 59095537) is 1,3,3-trimethylspiro[indole-2,2'-pyrano[3,2-h]quinoline].
What is the SMILES notation for 1,3,3-trimethylspiro[indole-2,2'-pyrano[3,2-h]quinoline]?
The canonical SMILES for 1,3,3-trimethylspiro[indole-2,2'-pyrano[3,2-h]quinoline] is CN1c2ccccc2C(C)(C)C12C=Cc1ccc3cccnc3c1O2.
What is the InChIKey of 1,3,3-trimethylspiro[indole-2,2'-pyrano[3,2-h]quinoline]?
The InChIKey is IBCKZLXJMDGNLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20N2O/c1-21(2)17-8-4-5-9-18(17)24(3)22(21)13-12-16-11-10-15-7-6-14-23-19(15)20(16)25-22/h4-14H,1-3H3.
What are the key properties of 1,3,3-trimethylspiro[indole-2,2'-pyrano[3,2-h]quinoline]?
1,3,3-trimethylspiro[indole-2,2'-pyrano[3,2-h]quinoline] has a molecular weight of 328.42 g/mol, XLogP of 4.76, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3,3-trimethylspiro[indole-2,2'-pyrano[3,2-h]quinoline] is sourced from PubChem (CID 59095537), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).