4-(furan-2-yl)-10-[2-(2-methylquinolin-6-yl)ethyl]-3,5,6,8,10,11-hexazatricyclo[7.3.0.02,6]dodeca-1(9),2,4,7,11-pentaen-7-amine

C22H18N8O — CID 24894065

IUPAC4-(furan-2-yl)-10-[2-(2-methylquinolin-6-yl)ethyl]-3,5,6,8,10,11-hexazatricyclo[7.3.0.02,6]dodeca-1(9),2,4,7,11-pentaen-7-amine
SMILESCc1ccc2cc(CCn3ncc4c3nc(N)n3nc(-c5ccco5)nc43)ccc2n1
InChIInChI=1S/C22H18N8O/c1-13-4-6-15-11-14(5-7-17(15)25-13)8-9-29-20-16(12-24-29)21-26-19(18-3-2-10-31-18)28-30(21)22(23)27-20/h2-7,10-12H,8-9H2,1H3,(H2,23,27)
InChIKeyFCSLYUBEYDUDTP-UHFFFAOYSA-N
MW410.44 g/mol
LogP3.42
Rot. Bonds4

About 4-(furan-2-yl)-10-[2-(2-methylquinolin-6-yl)ethyl]-3,5,6,8,10,11-hexazatricyclo[7.3.0.02,6]dodeca-1(9),2,4,7,11-pentaen-7-amine

4-(furan-2-yl)-10-[2-(2-methylquinolin-6-yl)ethyl]-3,5,6,8,10,11-hexazatricyclo[7.3.0.02,6]dodeca-1(9),2,4,7,11-pentaen-7-amine (PubChem CID 24894065) has the molecular formula C22H18N8O and a molecular weight of 410.44 g/mol. Its IUPAC name is 4-(furan-2-yl)-10-[2-(2-methylquinolin-6-yl)ethyl]-3,5,6,8,10,11-hexazatricyclo[7.3.0.02,6]dodeca-1(9),2,4,7,11-pentaen-7-amine.

Molecular Properties

Compound Name4-(furan-2-yl)-10-[2-(2-methylquinolin-6-yl)ethyl]-3,5,6,8,10,11-hexazatricyclo[7.3.0.02,6]dodeca-1(9),2,4,7,11-pentaen-7-amine
PubChem CID24894065
Molecular FormulaC22H18N8O
Molecular Weight410.44 g/mol
Exact Mass410.16
IUPAC Name4-(furan-2-yl)-10-[2-(2-methylquinolin-6-yl)ethyl]-3,5,6,8,10,11-hexazatricyclo[7.3.0.02,6]dodeca-1(9),2,4,7,11-pentaen-7-amine
SMILESCc1ccc2cc(CCn3ncc4c3nc(N)n3nc(-c5ccco5)nc43)ccc2n1
InChIInChI=1S/C22H18N8O/c1-13-4-6-15-11-14(5-7-17(15)25-13)8-9-29-20-16(12-24-29)21-26-19(18-3-2-10-31-18)28-30(21)22(23)27-20/h2-7,10-12H,8-9H2,1H3,(H2,23,27)
InChIKeyFCSLYUBEYDUDTP-UHFFFAOYSA-N
XLogP3.42
TPSA112.95 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.44
LogP ≤ 53.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

Analyze 4-(furan-2-yl)-10-[2-(2-methylquinolin-6-yl)ethyl]-3,5,6,8,10,11-hexazatricyclo[7.3.0.02,6]dodeca-1(9),2,4,7,11-pentaen-7-amine with MolForge

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Frequently Asked Questions

What is the IUPAC name of 4-(furan-2-yl)-10-[2-(2-methylquinolin-6-yl)ethyl]-3,5,6,8,10,11-hexazatricyclo[7.3.0.02,6]dodeca-1(9),2,4,7,11-pentaen-7-amine?
The IUPAC name of 4-(furan-2-yl)-10-[2-(2-methylquinolin-6-yl)ethyl]-3,5,6,8,10,11-hexazatricyclo[7.3.0.02,6]dodeca-1(9),2,4,7,11-pentaen-7-amine (CID 24894065) is 4-(furan-2-yl)-10-[2-(2-methylquinolin-6-yl)ethyl]-3,5,6,8,10,11-hexazatricyclo[7.3.0.02,6]dodeca-1(9),2,4,7,11-pentaen-7-amine.
What is the SMILES notation for 4-(furan-2-yl)-10-[2-(2-methylquinolin-6-yl)ethyl]-3,5,6,8,10,11-hexazatricyclo[7.3.0.02,6]dodeca-1(9),2,4,7,11-pentaen-7-amine?
The canonical SMILES for 4-(furan-2-yl)-10-[2-(2-methylquinolin-6-yl)ethyl]-3,5,6,8,10,11-hexazatricyclo[7.3.0.02,6]dodeca-1(9),2,4,7,11-pentaen-7-amine is Cc1ccc2cc(CCn3ncc4c3nc(N)n3nc(-c5ccco5)nc43)ccc2n1.
What is the InChIKey of 4-(furan-2-yl)-10-[2-(2-methylquinolin-6-yl)ethyl]-3,5,6,8,10,11-hexazatricyclo[7.3.0.02,6]dodeca-1(9),2,4,7,11-pentaen-7-amine?
The InChIKey is FCSLYUBEYDUDTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H18N8O/c1-13-4-6-15-11-14(5-7-17(15)25-13)8-9-29-20-16(12-24-29)21-26-19(18-3-2-10-31-18)28-30(21)22(23)27-20/h2-7,10-12H,8-9H2,1H3,(H2,23,27).
What are the key properties of 4-(furan-2-yl)-10-[2-(2-methylquinolin-6-yl)ethyl]-3,5,6,8,10,11-hexazatricyclo[7.3.0.02,6]dodeca-1(9),2,4,7,11-pentaen-7-amine?
4-(furan-2-yl)-10-[2-(2-methylquinolin-6-yl)ethyl]-3,5,6,8,10,11-hexazatricyclo[7.3.0.02,6]dodeca-1(9),2,4,7,11-pentaen-7-amine has a molecular weight of 410.44 g/mol, XLogP of 3.42, 4 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(furan-2-yl)-10-[2-(2-methylquinolin-6-yl)ethyl]-3,5,6,8,10,11-hexazatricyclo[7.3.0.02,6]dodeca-1(9),2,4,7,11-pentaen-7-amine is sourced from PubChem (CID 24894065), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).