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-(1-methylpiperidin-4-yl)quinolin-8-amine

C23H26N8O — CID 155532982

IUPAC2-(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-(1-methylpiperidin-4-yl)quinolin-8-amine
SMILESCN1CCC(Nc2cccc3ccc(-c4nnc5c6c(cnn45)N(C)CCO6)nc23)CC1
InChIInChI=1S/C23H26N8O/c1-29-10-8-16(9-11-29)25-17-5-3-4-15-6-7-18(26-20(15)17)22-27-28-23-21-19(14-24-31(22)23)30(2)12-13-32-21/h3-7,14,16,25H,8-13H2,1-2H3
InChIKeyRLPRIAUIJLQFJH-UHFFFAOYSA-N
MW430.52 g/mol
LogP2.67
Rot. Bonds3

About 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-(1-methylpiperidin-4-yl)quinolin-8-amine

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-(1-methylpiperidin-4-yl)quinolin-8-amine (PubChem CID 155532982) has the molecular formula C23H26N8O and a molecular weight of 430.52 g/mol. Its IUPAC name is 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-(1-methylpiperidin-4-yl)quinolin-8-amine.

Molecular Properties

Compound Name2-(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-(1-methylpiperidin-4-yl)quinolin-8-amine
PubChem CID155532982
Molecular FormulaC23H26N8O
Molecular Weight430.52 g/mol
Exact Mass430.22
IUPAC Name2-(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-(1-methylpiperidin-4-yl)quinolin-8-amine
SMILESCN1CCC(Nc2cccc3ccc(-c4nnc5c6c(cnn45)N(C)CCO6)nc23)CC1
InChIInChI=1S/C23H26N8O/c1-29-10-8-16(9-11-29)25-17-5-3-4-15-6-7-18(26-20(15)17)22-27-28-23-21-19(14-24-31(22)23)30(2)12-13-32-21/h3-7,14,16,25H,8-13H2,1-2H3
InChIKeyRLPRIAUIJLQFJH-UHFFFAOYSA-N
XLogP2.67
TPSA83.71 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds3
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500430.52
LogP ≤ 52.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

Analyze 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-(1-methylpiperidin-4-yl)quinolin-8-amine with MolForge

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Launch Full Analysis

Related Compounds

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
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
4-[3-(6-piperazin-1-yl-3-pyridinyl)-2-[(E)-2-quinolin-2-ylethenyl]imidazo[1,2-b]pyridazin-8-yl]morpholine
CID 117728539
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
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
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-ylquinolin-8-amine
CID 71488550
1-[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-yl]piperidin-4-amine
CID 71488552
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-[(1-methylpiperidin-4-yl)methyl]quinolin-8-amine
CID 155510554
N-[3-[6-(10-methyl-13-oxa-3,4,6,7,10-pentazatricyclo[7.4.0.02,6]trideca-1(9),2,4,7-tetraen-5-yl)-2-pyridinyl]phenyl]piperidin-4-amine
CID 155512906

Frequently Asked Questions

What is the IUPAC name of 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-(1-methylpiperidin-4-yl)quinolin-8-amine?
The IUPAC name of 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-(1-methylpiperidin-4-yl)quinolin-8-amine (CID 155532982) is 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-(1-methylpiperidin-4-yl)quinolin-8-amine.
What is the SMILES notation for 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-(1-methylpiperidin-4-yl)quinolin-8-amine?
The canonical SMILES for 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-(1-methylpiperidin-4-yl)quinolin-8-amine is CN1CCC(Nc2cccc3ccc(-c4nnc5c6c(cnn45)N(C)CCO6)nc23)CC1.
What is the InChIKey of 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-(1-methylpiperidin-4-yl)quinolin-8-amine?
The InChIKey is RLPRIAUIJLQFJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26N8O/c1-29-10-8-16(9-11-29)25-17-5-3-4-15-6-7-18(26-20(15)17)22-27-28-23-21-19(14-24-31(22)23)30(2)12-13-32-21/h3-7,14,16,25H,8-13H2,1-2H3.
What are the key properties of 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-(1-methylpiperidin-4-yl)quinolin-8-amine?
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-(1-methylpiperidin-4-yl)quinolin-8-amine has a molecular weight of 430.52 g/mol, XLogP of 2.67, 3 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 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-(1-methylpiperidin-4-yl)quinolin-8-amine is sourced from PubChem (CID 155532982), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).