2-methyl-5-[(13-methyl-8,15,17-triazatetracyclo[8.7.0.03,8.011,16]heptadeca-1(10),11(16),12,14-tetraen-17-yl)methyl]-7,8-dihydro-6H-quinolin-5-ol

C26H32N4O — CID 90294050

IUPAC2-methyl-5-[(13-methyl-8,15,17-triazatetracyclo[8.7.0.03,8.011,16]heptadeca-1(10),11(16),12,14-tetraen-17-yl)methyl]-7,8-dihydro-6H-quinolin-5-ol
SMILESCc1cnc2c(c1)c1c(n2CC2(O)CCCc3nc(C)ccc32)CC2CCCCN2C1
InChIInChI=1S/C26H32N4O/c1-17-12-20-21-15-29-11-4-3-6-19(29)13-24(21)30(25(20)27-14-17)16-26(31)10-5-7-23-22(26)9-8-18(2)28-23/h8-9,12,14,19,31H,3-7,10-11,13,15-16H2,1-2H3
InChIKeyXPYWFFUMHJBPIA-UHFFFAOYSA-N
MW416.57 g/mol
LogP4.18
Rot. Bonds2

About 2-methyl-5-[(13-methyl-8,15,17-triazatetracyclo[8.7.0.03,8.011,16]heptadeca-1(10),11(16),12,14-tetraen-17-yl)methyl]-7,8-dihydro-6H-quinolin-5-ol

2-methyl-5-[(13-methyl-8,15,17-triazatetracyclo[8.7.0.03,8.011,16]heptadeca-1(10),11(16),12,14-tetraen-17-yl)methyl]-7,8-dihydro-6H-quinolin-5-ol (PubChem CID 90294050) has the molecular formula C26H32N4O and a molecular weight of 416.57 g/mol. Its IUPAC name is 2-methyl-5-[(13-methyl-8,15,17-triazatetracyclo[8.7.0.03,8.011,16]heptadeca-1(10),11(16),12,14-tetraen-17-yl)methyl]-7,8-dihydro-6H-quinolin-5-ol.

Molecular Properties

Compound Name2-methyl-5-[(13-methyl-8,15,17-triazatetracyclo[8.7.0.03,8.011,16]heptadeca-1(10),11(16),12,14-tetraen-17-yl)methyl]-7,8-dihydro-6H-quinolin-5-ol
PubChem CID90294050
Molecular FormulaC26H32N4O
Molecular Weight416.57 g/mol
Exact Mass416.26
IUPAC Name2-methyl-5-[(13-methyl-8,15,17-triazatetracyclo[8.7.0.03,8.011,16]heptadeca-1(10),11(16),12,14-tetraen-17-yl)methyl]-7,8-dihydro-6H-quinolin-5-ol
SMILESCc1cnc2c(c1)c1c(n2CC2(O)CCCc3nc(C)ccc32)CC2CCCCN2C1
InChIInChI=1S/C26H32N4O/c1-17-12-20-21-15-29-11-4-3-6-19(29)13-24(21)30(25(20)27-14-17)16-26(31)10-5-7-23-22(26)9-8-18(2)28-23/h8-9,12,14,19,31H,3-7,10-11,13,15-16H2,1-2H3
InChIKeyXPYWFFUMHJBPIA-UHFFFAOYSA-N
XLogP4.18
TPSA54.18 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500416.57
LogP ≤ 54.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 2-methyl-5-[(13-methyl-8,15,17-triazatetracyclo[8.7.0.03,8.011,16]heptadeca-1(10),11(16),12,14-tetraen-17-yl)methyl]-7,8-dihydro-6H-quinolin-5-ol with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-5-[(13-methyl-8,15,17-triazatetracyclo[8.7.0.03,8.011,16]heptadeca-1(10),11(16),12,14-tetraen-17-yl)methyl]-7,8-dihydro-6H-quinolin-5-ol?
The IUPAC name of 2-methyl-5-[(13-methyl-8,15,17-triazatetracyclo[8.7.0.03,8.011,16]heptadeca-1(10),11(16),12,14-tetraen-17-yl)methyl]-7,8-dihydro-6H-quinolin-5-ol (CID 90294050) is 2-methyl-5-[(13-methyl-8,15,17-triazatetracyclo[8.7.0.03,8.011,16]heptadeca-1(10),11(16),12,14-tetraen-17-yl)methyl]-7,8-dihydro-6H-quinolin-5-ol.
What is the SMILES notation for 2-methyl-5-[(13-methyl-8,15,17-triazatetracyclo[8.7.0.03,8.011,16]heptadeca-1(10),11(16),12,14-tetraen-17-yl)methyl]-7,8-dihydro-6H-quinolin-5-ol?
The canonical SMILES for 2-methyl-5-[(13-methyl-8,15,17-triazatetracyclo[8.7.0.03,8.011,16]heptadeca-1(10),11(16),12,14-tetraen-17-yl)methyl]-7,8-dihydro-6H-quinolin-5-ol is Cc1cnc2c(c1)c1c(n2CC2(O)CCCc3nc(C)ccc32)CC2CCCCN2C1.
What is the InChIKey of 2-methyl-5-[(13-methyl-8,15,17-triazatetracyclo[8.7.0.03,8.011,16]heptadeca-1(10),11(16),12,14-tetraen-17-yl)methyl]-7,8-dihydro-6H-quinolin-5-ol?
The InChIKey is XPYWFFUMHJBPIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H32N4O/c1-17-12-20-21-15-29-11-4-3-6-19(29)13-24(21)30(25(20)27-14-17)16-26(31)10-5-7-23-22(26)9-8-18(2)28-23/h8-9,12,14,19,31H,3-7,10-11,13,15-16H2,1-2H3.
What are the key properties of 2-methyl-5-[(13-methyl-8,15,17-triazatetracyclo[8.7.0.03,8.011,16]heptadeca-1(10),11(16),12,14-tetraen-17-yl)methyl]-7,8-dihydro-6H-quinolin-5-ol?
2-methyl-5-[(13-methyl-8,15,17-triazatetracyclo[8.7.0.03,8.011,16]heptadeca-1(10),11(16),12,14-tetraen-17-yl)methyl]-7,8-dihydro-6H-quinolin-5-ol has a molecular weight of 416.57 g/mol, XLogP of 4.18, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-5-[(13-methyl-8,15,17-triazatetracyclo[8.7.0.03,8.011,16]heptadeca-1(10),11(16),12,14-tetraen-17-yl)methyl]-7,8-dihydro-6H-quinolin-5-ol is sourced from PubChem (CID 90294050), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).