7-methyl-3-quinolin-2-yl-3,12-diazatetracyclo[10.2.2.02,10.04,9]hexadeca-2(10),4(9),5,7-tetraene

C24H23N3 — CID 45381395

IUPAC7-methyl-3-quinolin-2-yl-3,12-diazatetracyclo[10.2.2.02,10.04,9]hexadeca-2(10),4(9),5,7-tetraene
SMILESCc1ccc2c(c1)c1c(n2-c2ccc3ccccc3n2)C2CCN(CC2)C1
InChIInChI=1S/C24H23N3/c1-16-6-8-22-19(14-16)20-15-26-12-10-18(11-13-26)24(20)27(22)23-9-7-17-4-2-3-5-21(17)25-23/h2-9,14,18H,10-13,15H2,1H3
InChIKeyZYGRVRKBOIZVDS-UHFFFAOYSA-N
MW353.47 g/mol
LogP5.18
Rot. Bonds1

About 7-methyl-3-quinolin-2-yl-3,12-diazatetracyclo[10.2.2.02,10.04,9]hexadeca-2(10),4(9),5,7-tetraene

7-methyl-3-quinolin-2-yl-3,12-diazatetracyclo[10.2.2.02,10.04,9]hexadeca-2(10),4(9),5,7-tetraene (PubChem CID 45381395) has the molecular formula C24H23N3 and a molecular weight of 353.47 g/mol. Its IUPAC name is 7-methyl-3-quinolin-2-yl-3,12-diazatetracyclo[10.2.2.02,10.04,9]hexadeca-2(10),4(9),5,7-tetraene.

Molecular Properties

Compound Name7-methyl-3-quinolin-2-yl-3,12-diazatetracyclo[10.2.2.02,10.04,9]hexadeca-2(10),4(9),5,7-tetraene
PubChem CID45381395
Molecular FormulaC24H23N3
Molecular Weight353.47 g/mol
Exact Mass353.19
IUPAC Name7-methyl-3-quinolin-2-yl-3,12-diazatetracyclo[10.2.2.02,10.04,9]hexadeca-2(10),4(9),5,7-tetraene
SMILESCc1ccc2c(c1)c1c(n2-c2ccc3ccccc3n2)C2CCN(CC2)C1
InChIInChI=1S/C24H23N3/c1-16-6-8-22-19(14-16)20-15-26-12-10-18(11-13-26)24(20)27(22)23-9-7-17-4-2-3-5-21(17)25-23/h2-9,14,18H,10-13,15H2,1H3
InChIKeyZYGRVRKBOIZVDS-UHFFFAOYSA-N
XLogP5.18
TPSA21.06 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500353.47
LogP ≤ 55.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 7-methyl-3-quinolin-2-yl-3,12-diazatetracyclo[10.2.2.02,10.04,9]hexadeca-2(10),4(9),5,7-tetraene?
The IUPAC name of 7-methyl-3-quinolin-2-yl-3,12-diazatetracyclo[10.2.2.02,10.04,9]hexadeca-2(10),4(9),5,7-tetraene (CID 45381395) is 7-methyl-3-quinolin-2-yl-3,12-diazatetracyclo[10.2.2.02,10.04,9]hexadeca-2(10),4(9),5,7-tetraene.
What is the SMILES notation for 7-methyl-3-quinolin-2-yl-3,12-diazatetracyclo[10.2.2.02,10.04,9]hexadeca-2(10),4(9),5,7-tetraene?
The canonical SMILES for 7-methyl-3-quinolin-2-yl-3,12-diazatetracyclo[10.2.2.02,10.04,9]hexadeca-2(10),4(9),5,7-tetraene is Cc1ccc2c(c1)c1c(n2-c2ccc3ccccc3n2)C2CCN(CC2)C1.
What is the InChIKey of 7-methyl-3-quinolin-2-yl-3,12-diazatetracyclo[10.2.2.02,10.04,9]hexadeca-2(10),4(9),5,7-tetraene?
The InChIKey is ZYGRVRKBOIZVDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23N3/c1-16-6-8-22-19(14-16)20-15-26-12-10-18(11-13-26)24(20)27(22)23-9-7-17-4-2-3-5-21(17)25-23/h2-9,14,18H,10-13,15H2,1H3.
What are the key properties of 7-methyl-3-quinolin-2-yl-3,12-diazatetracyclo[10.2.2.02,10.04,9]hexadeca-2(10),4(9),5,7-tetraene?
7-methyl-3-quinolin-2-yl-3,12-diazatetracyclo[10.2.2.02,10.04,9]hexadeca-2(10),4(9),5,7-tetraene has a molecular weight of 353.47 g/mol, XLogP of 5.18, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-methyl-3-quinolin-2-yl-3,12-diazatetracyclo[10.2.2.02,10.04,9]hexadeca-2(10),4(9),5,7-tetraene is sourced from PubChem (CID 45381395), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).