1,3,3,5'-tetramethylspiro[indole-2,2'-pyrano[3,2-c]quinoline]

C23H22N2O — CID 19084178

IUPAC1,3,3,5'-tetramethylspiro[indole-2,2'-pyrano[3,2-c]quinoline]
SMILESCc1nc2ccccc2c2c1C=CC1(O2)N(C)c2ccccc2C1(C)C
InChIInChI=1S/C23H22N2O/c1-15-16-13-14-23(26-21(16)17-9-5-7-11-19(17)24-15)22(2,3)18-10-6-8-12-20(18)25(23)4/h5-14H,1-4H3
InChIKeyIZVLGSOIQUXMPG-UHFFFAOYSA-N
MW342.44 g/mol
LogP5.07
Rot. Bonds

About 1,3,3,5'-tetramethylspiro[indole-2,2'-pyrano[3,2-c]quinoline]

1,3,3,5'-tetramethylspiro[indole-2,2'-pyrano[3,2-c]quinoline] (PubChem CID 19084178) has the molecular formula C23H22N2O and a molecular weight of 342.44 g/mol. Its IUPAC name is 1,3,3,5'-tetramethylspiro[indole-2,2'-pyrano[3,2-c]quinoline].

Molecular Properties

Compound Name1,3,3,5'-tetramethylspiro[indole-2,2'-pyrano[3,2-c]quinoline]
PubChem CID19084178
Molecular FormulaC23H22N2O
Molecular Weight342.44 g/mol
Exact Mass342.17
IUPAC Name1,3,3,5'-tetramethylspiro[indole-2,2'-pyrano[3,2-c]quinoline]
SMILESCc1nc2ccccc2c2c1C=CC1(O2)N(C)c2ccccc2C1(C)C
InChIInChI=1S/C23H22N2O/c1-15-16-13-14-23(26-21(16)17-9-5-7-11-19(17)24-15)22(2,3)18-10-6-8-12-20(18)25(23)4/h5-14H,1-4H3
InChIKeyIZVLGSOIQUXMPG-UHFFFAOYSA-N
XLogP5.07
TPSA25.36 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500342.44
LogP ≤ 55.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'dyes5A(27)', 'substructure': 'N/A'}

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Related Compounds

1,3,3-trimethylspiro[indole-2,2'-naphtho[2,1-f]chromene]
CID 19084395
1',3',3'-trimethylspiro[benzo[f]chromene-3,2'-indole]-9-ol
CID 19083901
5-(4,5-diphenyl-1,3-oxazol-2-yl)-1',3',3'-trimethylspiro[benzo[f]chromene-3,2'-indole]
CID 101427195
5,7-dichloro-1',3',3'-trimethylspiro[chromene-2,2'-indole]
CID 19084092
1,3,3-trimethylspiro[indole-2,2'-pyrano[3,2-h]quinoline]
CID 59095537
5-(1,3-benzothiazol-2-yl)-1',3',3',5'-tetramethylspiro[benzo[f]chromene-3,2'-indole]
CID 142761874
1,3,3,5'-tetramethylspiro[indole-2,2'-pyrano[3,2-b]pyridin-5-ium]
CID 102430118
1',3',3'-trimethylspiro[benzo[f]chromene-3,2'-benzo[f]indole]
CID 3740164
(2S)-8-bromo-6-chloro-1',3',3'-trimethylspiro[chromene-2,2'-indole]
CID 139206872
(2S)-8-bromo-1',3',3'-trimethyl-6-nitrospiro[chromene-2,2'-indole]
CID 6999379
(3R)-5'-methoxy-1',3',3'-trimethylspiro[benzo[f]chromene-3,2'-indole]
CID 6581587
8-bromo-1',3',3'-trimethylspiro[chromene-2,2'-indole]-6-carbaldehyde
CID 5182854

Frequently Asked Questions

What is the IUPAC name of 1,3,3,5'-tetramethylspiro[indole-2,2'-pyrano[3,2-c]quinoline]?
The IUPAC name of 1,3,3,5'-tetramethylspiro[indole-2,2'-pyrano[3,2-c]quinoline] (CID 19084178) is 1,3,3,5'-tetramethylspiro[indole-2,2'-pyrano[3,2-c]quinoline].
What is the SMILES notation for 1,3,3,5'-tetramethylspiro[indole-2,2'-pyrano[3,2-c]quinoline]?
The canonical SMILES for 1,3,3,5'-tetramethylspiro[indole-2,2'-pyrano[3,2-c]quinoline] is Cc1nc2ccccc2c2c1C=CC1(O2)N(C)c2ccccc2C1(C)C.
What is the InChIKey of 1,3,3,5'-tetramethylspiro[indole-2,2'-pyrano[3,2-c]quinoline]?
The InChIKey is IZVLGSOIQUXMPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22N2O/c1-15-16-13-14-23(26-21(16)17-9-5-7-11-19(17)24-15)22(2,3)18-10-6-8-12-20(18)25(23)4/h5-14H,1-4H3.
What are the key properties of 1,3,3,5'-tetramethylspiro[indole-2,2'-pyrano[3,2-c]quinoline]?
1,3,3,5'-tetramethylspiro[indole-2,2'-pyrano[3,2-c]quinoline] has a molecular weight of 342.44 g/mol, XLogP of 5.07, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3,3,5'-tetramethylspiro[indole-2,2'-pyrano[3,2-c]quinoline] is sourced from PubChem (CID 19084178), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).