N-(cyclohexylmethyl)-2-(10-methyl-13-oxa-3,4,6,7,10-pentazatricyclo[7.4.0.02,6]trideca-1(9),2,4,7-tetraen-5-yl)quinolin-8-amine

C24H27N7O — CID 155528784

IUPACN-(cyclohexylmethyl)-2-(10-methyl-13-oxa-3,4,6,7,10-pentazatricyclo[7.4.0.02,6]trideca-1(9),2,4,7-tetraen-5-yl)quinolin-8-amine
SMILESCN1CCOc2c1cnn1c(-c3ccc4cccc(NCC5CCCCC5)c4n3)nnc21
InChIInChI=1S/C24H27N7O/c1-30-12-13-32-22-20(30)15-26-31-23(28-29-24(22)31)19-11-10-17-8-5-9-18(21(17)27-19)25-14-16-6-3-2-4-7-16/h5,8-11,15-16,25H,2-4,6-7,12-14H2,1H3
InChIKeyNLBFSYVYLHKWOK-UHFFFAOYSA-N
MW429.53 g/mol
LogP4.16
Rot. Bonds4

About N-(cyclohexylmethyl)-2-(10-methyl-13-oxa-3,4,6,7,10-pentazatricyclo[7.4.0.02,6]trideca-1(9),2,4,7-tetraen-5-yl)quinolin-8-amine

N-(cyclohexylmethyl)-2-(10-methyl-13-oxa-3,4,6,7,10-pentazatricyclo[7.4.0.02,6]trideca-1(9),2,4,7-tetraen-5-yl)quinolin-8-amine (PubChem CID 155528784) has the molecular formula C24H27N7O and a molecular weight of 429.53 g/mol. Its IUPAC name is N-(cyclohexylmethyl)-2-(10-methyl-13-oxa-3,4,6,7,10-pentazatricyclo[7.4.0.02,6]trideca-1(9),2,4,7-tetraen-5-yl)quinolin-8-amine.

Molecular Properties

Compound NameN-(cyclohexylmethyl)-2-(10-methyl-13-oxa-3,4,6,7,10-pentazatricyclo[7.4.0.02,6]trideca-1(9),2,4,7-tetraen-5-yl)quinolin-8-amine
PubChem CID155528784
Molecular FormulaC24H27N7O
Molecular Weight429.53 g/mol
Exact Mass429.23
IUPAC NameN-(cyclohexylmethyl)-2-(10-methyl-13-oxa-3,4,6,7,10-pentazatricyclo[7.4.0.02,6]trideca-1(9),2,4,7-tetraen-5-yl)quinolin-8-amine
SMILESCN1CCOc2c1cnn1c(-c3ccc4cccc(NCC5CCCCC5)c4n3)nnc21
InChIInChI=1S/C24H27N7O/c1-30-12-13-32-22-20(30)15-26-31-23(28-29-24(22)31)19-11-10-17-8-5-9-18(21(17)27-19)25-14-16-6-3-2-4-7-16/h5,8-11,15-16,25H,2-4,6-7,12-14H2,1H3
InChIKeyNLBFSYVYLHKWOK-UHFFFAOYSA-N
XLogP4.16
TPSA80.47 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500429.53
LogP ≤ 54.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze N-(cyclohexylmethyl)-2-(10-methyl-13-oxa-3,4,6,7,10-pentazatricyclo[7.4.0.02,6]trideca-1(9),2,4,7-tetraen-5-yl)quinolin-8-amine with MolForge

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Related Compounds

7-methoxy-N-[(6-phenyl[1,2,4]triazolo[4,3-b]pyridazin-3-yl)methyl]-1,5-naphthyridin-4-amine
CID 25064730
1-(5-Butoxypyridin-3-Yl)-4-Methyl-8-(Morpholin-4-Ylmethyl)[1,2,4]triazolo[4,3-A]quinoxaline
CID 71153408
6-chloro-N-[(4-fluoropiperidin-4-yl)methyl]-2-(10-methyl-13-oxa-3,4,6,7,10-pentazatricyclo[7.4.0.02,6]trideca-1(9),2,4,7-tetraen-5-yl)quinolin-8-amine
CID 155526194
4-(6-(4-(2-(4-Methylpiperazin-1-yl)ethoxy)phenyl)pyrazolo[1,5-a]pyrimidin-3-yl)quinoline
CID 44223241
4-[[4-Methyl-1-(5-propoxy-3-pyridinyl)-[1,2,4]triazolo[4,3-a]quinoxalin-8-yl]methyl]morpholine
CID 71153417
10-Methyl-5-(8-piperazin-1-ylquinolin-2-yl)-13-oxa-3,4,6,7,10-pentazatricyclo[7.4.0.02,6]trideca-1(9),2,4,7-tetraene
CID 71202406
7-(10-methyl-13-oxa-3,4,6,7,10-pentazatricyclo[7.4.0.02,6]trideca-1(9),2,4,7-tetraen-5-yl)-N-(oxan-4-ylmethyl)naphthalen-1-amine
CID 123518123
Pim1-IN-1
CID 123561371
5,6-difluoro-N-[(4-fluoropiperidin-4-yl)methyl]-2-(10-methyl-13-oxa-3,4,6,7,10-pentazatricyclo[7.4.0.02,6]trideca-1(9),2,4,7-tetraen-5-yl)quinolin-8-amine
CID 123944769
5-fluoro-N-[(4-fluoropiperidin-4-yl)methyl]-2-(10-methyl-13-oxa-3,4,6,7,10-pentazatricyclo[7.4.0.02,6]trideca-1(9),2,4,7-tetraen-5-yl)quinolin-8-amine
CID 124005596
8-(3-Piperidinylmethoxy)-2-(1,2,4-triazolo[4,3-a]pyridin-3-yl)quinoline
CID 58303720
2-(10-methyl-13-oxa-3,4,6,7,10-pentazatricyclo[7.4.0.02,6]trideca-1(9),2,4,7-tetraen-5-yl)-N-(piperidin-4-ylmethyl)quinolin-8-amine
CID 71488479

Frequently Asked Questions

What is the IUPAC name of N-(cyclohexylmethyl)-2-(10-methyl-13-oxa-3,4,6,7,10-pentazatricyclo[7.4.0.02,6]trideca-1(9),2,4,7-tetraen-5-yl)quinolin-8-amine?
The IUPAC name of N-(cyclohexylmethyl)-2-(10-methyl-13-oxa-3,4,6,7,10-pentazatricyclo[7.4.0.02,6]trideca-1(9),2,4,7-tetraen-5-yl)quinolin-8-amine (CID 155528784) is N-(cyclohexylmethyl)-2-(10-methyl-13-oxa-3,4,6,7,10-pentazatricyclo[7.4.0.02,6]trideca-1(9),2,4,7-tetraen-5-yl)quinolin-8-amine.
What is the SMILES notation for N-(cyclohexylmethyl)-2-(10-methyl-13-oxa-3,4,6,7,10-pentazatricyclo[7.4.0.02,6]trideca-1(9),2,4,7-tetraen-5-yl)quinolin-8-amine?
The canonical SMILES for N-(cyclohexylmethyl)-2-(10-methyl-13-oxa-3,4,6,7,10-pentazatricyclo[7.4.0.02,6]trideca-1(9),2,4,7-tetraen-5-yl)quinolin-8-amine is CN1CCOc2c1cnn1c(-c3ccc4cccc(NCC5CCCCC5)c4n3)nnc21.
What is the InChIKey of N-(cyclohexylmethyl)-2-(10-methyl-13-oxa-3,4,6,7,10-pentazatricyclo[7.4.0.02,6]trideca-1(9),2,4,7-tetraen-5-yl)quinolin-8-amine?
The InChIKey is NLBFSYVYLHKWOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H27N7O/c1-30-12-13-32-22-20(30)15-26-31-23(28-29-24(22)31)19-11-10-17-8-5-9-18(21(17)27-19)25-14-16-6-3-2-4-7-16/h5,8-11,15-16,25H,2-4,6-7,12-14H2,1H3.
What are the key properties of N-(cyclohexylmethyl)-2-(10-methyl-13-oxa-3,4,6,7,10-pentazatricyclo[7.4.0.02,6]trideca-1(9),2,4,7-tetraen-5-yl)quinolin-8-amine?
N-(cyclohexylmethyl)-2-(10-methyl-13-oxa-3,4,6,7,10-pentazatricyclo[7.4.0.02,6]trideca-1(9),2,4,7-tetraen-5-yl)quinolin-8-amine has a molecular weight of 429.53 g/mol, XLogP of 4.16, 4 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-(cyclohexylmethyl)-2-(10-methyl-13-oxa-3,4,6,7,10-pentazatricyclo[7.4.0.02,6]trideca-1(9),2,4,7-tetraen-5-yl)quinolin-8-amine is sourced from PubChem (CID 155528784), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).