3'-methylspiro[chromeno[4,3-b]quinoline-6,1'-cyclohexane]-7-amine

C22H22N2O — CID 132916566

IUPAC3'-methylspiro[chromeno[4,3-b]quinoline-6,1'-cyclohexane]-7-amine
SMILESCC1CCCC2(C1)Oc1ccccc1-c1nc3ccccc3c(N)c12
InChIInChI=1S/C22H22N2O/c1-14-7-6-12-22(13-14)19-20(23)15-8-2-4-10-17(15)24-21(19)16-9-3-5-11-18(16)25-22/h2-5,8-11,14H,6-7,12-13H2,1H3,(H2,23,24)
InChIKeyNJNQAZICNSCICG-UHFFFAOYSA-N
MW330.43 g/mol
LogP5.28
Rot. Bonds

About 3'-methylspiro[chromeno[4,3-b]quinoline-6,1'-cyclohexane]-7-amine

3'-methylspiro[chromeno[4,3-b]quinoline-6,1'-cyclohexane]-7-amine (PubChem CID 132916566) has the molecular formula C22H22N2O and a molecular weight of 330.43 g/mol. Its IUPAC name is 3'-methylspiro[chromeno[4,3-b]quinoline-6,1'-cyclohexane]-7-amine.

Molecular Properties

Compound Name3'-methylspiro[chromeno[4,3-b]quinoline-6,1'-cyclohexane]-7-amine
PubChem CID132916566
Molecular FormulaC22H22N2O
Molecular Weight330.43 g/mol
Exact Mass330.17
IUPAC Name3'-methylspiro[chromeno[4,3-b]quinoline-6,1'-cyclohexane]-7-amine
SMILESCC1CCCC2(C1)Oc1ccccc1-c1nc3ccccc3c(N)c12
InChIInChI=1S/C22H22N2O/c1-14-7-6-12-22(13-14)19-20(23)15-8-2-4-10-17(15)24-21(19)16-9-3-5-11-18(16)25-22/h2-5,8-11,14H,6-7,12-13H2,1H3,(H2,23,24)
InChIKeyNJNQAZICNSCICG-UHFFFAOYSA-N
XLogP5.28
TPSA48.14 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500330.43
LogP ≤ 55.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3'-methylspiro[chromeno[4,3-b]quinoline-6,1'-cyclohexane]-7-amine?
The IUPAC name of 3'-methylspiro[chromeno[4,3-b]quinoline-6,1'-cyclohexane]-7-amine (CID 132916566) is 3'-methylspiro[chromeno[4,3-b]quinoline-6,1'-cyclohexane]-7-amine.
What is the SMILES notation for 3'-methylspiro[chromeno[4,3-b]quinoline-6,1'-cyclohexane]-7-amine?
The canonical SMILES for 3'-methylspiro[chromeno[4,3-b]quinoline-6,1'-cyclohexane]-7-amine is CC1CCCC2(C1)Oc1ccccc1-c1nc3ccccc3c(N)c12.
What is the InChIKey of 3'-methylspiro[chromeno[4,3-b]quinoline-6,1'-cyclohexane]-7-amine?
The InChIKey is NJNQAZICNSCICG-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22N2O/c1-14-7-6-12-22(13-14)19-20(23)15-8-2-4-10-17(15)24-21(19)16-9-3-5-11-18(16)25-22/h2-5,8-11,14H,6-7,12-13H2,1H3,(H2,23,24).
What are the key properties of 3'-methylspiro[chromeno[4,3-b]quinoline-6,1'-cyclohexane]-7-amine?
3'-methylspiro[chromeno[4,3-b]quinoline-6,1'-cyclohexane]-7-amine has a molecular weight of 330.43 g/mol, XLogP of 5.28, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3'-methylspiro[chromeno[4,3-b]quinoline-6,1'-cyclohexane]-7-amine is sourced from PubChem (CID 132916566), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).