7-methyl-2-[2-[2-[2-(4-methyl-3,5-diazatricyclo[8.4.0.02,6]tetradeca-1(10),2(6),3,11,13-pentaen-12-yl)ethyl]-3,4-dihydrochromeno[3,4-d]imidazol-7-yl]ethyl]-3,4-dihydroimidazo[4,5-c]quinolin-5-amine

C38H38N8O — CID 91011852

IUPAC7-methyl-2-[2-[2-[2-(4-methyl-3,5-diazatricyclo[8.4.0.02,6]tetradeca-1(10),2(6),3,11,13-pentaen-12-yl)ethyl]-3,4-dihydrochromeno[3,4-d]imidazol-7-yl]ethyl]-3,4-dihydroimidazo[4,5-c]quinolin-5-amine
SMILESCc1ccc2c(c1)N(N)Cc1[nH]c(CCc3ccc4c(c3)OCc3[nH]c(CCc5ccc6c(c5)CCCc5[nH]c(C)nc5-6)nc3-4)nc1-2
InChIInChI=1S/C38H38N8O/c1-21-6-11-27-32(16-21)46(39)19-30-37(27)44-34(42-30)15-10-24-8-13-28-33(18-24)47-20-31-38(28)45-35(43-31)14-9-23-7-12-26-25(17-23)4-3-5-29-36(26)41-22(2)40-29/h6-8,11-13,16-18H,3-5,9-10,14-15,19-20,39H2,1-2H3,(H,40,41)(H,42,44)(H,43,45)
InChIKeyGYEVHSVGDFVQCF-UHFFFAOYSA-N
MW622.78 g/mol
LogP6.62
Rot. Bonds6

About 7-methyl-2-[2-[2-[2-(4-methyl-3,5-diazatricyclo[8.4.0.02,6]tetradeca-1(10),2(6),3,11,13-pentaen-12-yl)ethyl]-3,4-dihydrochromeno[3,4-d]imidazol-7-yl]ethyl]-3,4-dihydroimidazo[4,5-c]quinolin-5-amine

7-methyl-2-[2-[2-[2-(4-methyl-3,5-diazatricyclo[8.4.0.02,6]tetradeca-1(10),2(6),3,11,13-pentaen-12-yl)ethyl]-3,4-dihydrochromeno[3,4-d]imidazol-7-yl]ethyl]-3,4-dihydroimidazo[4,5-c]quinolin-5-amine (PubChem CID 91011852) has the molecular formula C38H38N8O and a molecular weight of 622.78 g/mol. Its IUPAC name is 7-methyl-2-[2-[2-[2-(4-methyl-3,5-diazatricyclo[8.4.0.02,6]tetradeca-1(10),2(6),3,11,13-pentaen-12-yl)ethyl]-3,4-dihydrochromeno[3,4-d]imidazol-7-yl]ethyl]-3,4-dihydroimidazo[4,5-c]quinolin-5-amine.

Molecular Properties

Compound Name7-methyl-2-[2-[2-[2-(4-methyl-3,5-diazatricyclo[8.4.0.02,6]tetradeca-1(10),2(6),3,11,13-pentaen-12-yl)ethyl]-3,4-dihydrochromeno[3,4-d]imidazol-7-yl]ethyl]-3,4-dihydroimidazo[4,5-c]quinolin-5-amine
PubChem CID91011852
Molecular FormulaC38H38N8O
Molecular Weight622.78 g/mol
Exact Mass622.32
IUPAC Name7-methyl-2-[2-[2-[2-(4-methyl-3,5-diazatricyclo[8.4.0.02,6]tetradeca-1(10),2(6),3,11,13-pentaen-12-yl)ethyl]-3,4-dihydrochromeno[3,4-d]imidazol-7-yl]ethyl]-3,4-dihydroimidazo[4,5-c]quinolin-5-amine
SMILESCc1ccc2c(c1)N(N)Cc1[nH]c(CCc3ccc4c(c3)OCc3[nH]c(CCc5ccc6c(c5)CCCc5[nH]c(C)nc5-6)nc3-4)nc1-2
InChIInChI=1S/C38H38N8O/c1-21-6-11-27-32(16-21)46(39)19-30-37(27)44-34(42-30)15-10-24-8-13-28-33(18-24)47-20-31-38(28)45-35(43-31)14-9-23-7-12-26-25(17-23)4-3-5-29-36(26)41-22(2)40-29/h6-8,11-13,16-18H,3-5,9-10,14-15,19-20,39H2,1-2H3,(H,40,41)(H,42,44)(H,43,45)
InChIKeyGYEVHSVGDFVQCF-UHFFFAOYSA-N
XLogP6.62
TPSA124.53 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms47
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500622.78
LogP ≤ 56.62
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydrazine', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 7-methyl-2-[2-[2-[2-(4-methyl-3,5-diazatricyclo[8.4.0.02,6]tetradeca-1(10),2(6),3,11,13-pentaen-12-yl)ethyl]-3,4-dihydrochromeno[3,4-d]imidazol-7-yl]ethyl]-3,4-dihydroimidazo[4,5-c]quinolin-5-amine?
The IUPAC name of 7-methyl-2-[2-[2-[2-(4-methyl-3,5-diazatricyclo[8.4.0.02,6]tetradeca-1(10),2(6),3,11,13-pentaen-12-yl)ethyl]-3,4-dihydrochromeno[3,4-d]imidazol-7-yl]ethyl]-3,4-dihydroimidazo[4,5-c]quinolin-5-amine (CID 91011852) is 7-methyl-2-[2-[2-[2-(4-methyl-3,5-diazatricyclo[8.4.0.02,6]tetradeca-1(10),2(6),3,11,13-pentaen-12-yl)ethyl]-3,4-dihydrochromeno[3,4-d]imidazol-7-yl]ethyl]-3,4-dihydroimidazo[4,5-c]quinolin-5-amine.
What is the SMILES notation for 7-methyl-2-[2-[2-[2-(4-methyl-3,5-diazatricyclo[8.4.0.02,6]tetradeca-1(10),2(6),3,11,13-pentaen-12-yl)ethyl]-3,4-dihydrochromeno[3,4-d]imidazol-7-yl]ethyl]-3,4-dihydroimidazo[4,5-c]quinolin-5-amine?
The canonical SMILES for 7-methyl-2-[2-[2-[2-(4-methyl-3,5-diazatricyclo[8.4.0.02,6]tetradeca-1(10),2(6),3,11,13-pentaen-12-yl)ethyl]-3,4-dihydrochromeno[3,4-d]imidazol-7-yl]ethyl]-3,4-dihydroimidazo[4,5-c]quinolin-5-amine is Cc1ccc2c(c1)N(N)Cc1[nH]c(CCc3ccc4c(c3)OCc3[nH]c(CCc5ccc6c(c5)CCCc5[nH]c(C)nc5-6)nc3-4)nc1-2.
What is the InChIKey of 7-methyl-2-[2-[2-[2-(4-methyl-3,5-diazatricyclo[8.4.0.02,6]tetradeca-1(10),2(6),3,11,13-pentaen-12-yl)ethyl]-3,4-dihydrochromeno[3,4-d]imidazol-7-yl]ethyl]-3,4-dihydroimidazo[4,5-c]quinolin-5-amine?
The InChIKey is GYEVHSVGDFVQCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C38H38N8O/c1-21-6-11-27-32(16-21)46(39)19-30-37(27)44-34(42-30)15-10-24-8-13-28-33(18-24)47-20-31-38(28)45-35(43-31)14-9-23-7-12-26-25(17-23)4-3-5-29-36(26)41-22(2)40-29/h6-8,11-13,16-18H,3-5,9-10,14-15,19-20,39H2,1-2H3,(H,40,41)(H,42,44)(H,43,45).
What are the key properties of 7-methyl-2-[2-[2-[2-(4-methyl-3,5-diazatricyclo[8.4.0.02,6]tetradeca-1(10),2(6),3,11,13-pentaen-12-yl)ethyl]-3,4-dihydrochromeno[3,4-d]imidazol-7-yl]ethyl]-3,4-dihydroimidazo[4,5-c]quinolin-5-amine?
7-methyl-2-[2-[2-[2-(4-methyl-3,5-diazatricyclo[8.4.0.02,6]tetradeca-1(10),2(6),3,11,13-pentaen-12-yl)ethyl]-3,4-dihydrochromeno[3,4-d]imidazol-7-yl]ethyl]-3,4-dihydroimidazo[4,5-c]quinolin-5-amine has a molecular weight of 622.78 g/mol, XLogP of 6.62, 6 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 7-methyl-2-[2-[2-[2-(4-methyl-3,5-diazatricyclo[8.4.0.02,6]tetradeca-1(10),2(6),3,11,13-pentaen-12-yl)ethyl]-3,4-dihydrochromeno[3,4-d]imidazol-7-yl]ethyl]-3,4-dihydroimidazo[4,5-c]quinolin-5-amine is sourced from PubChem (CID 91011852), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).