N-[(4-fluoropiperidin-4-yl)methyl]-6-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

C24H27FN8O — CID 155524597

IUPACN-[(4-fluoropiperidin-4-yl)methyl]-6-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
SMILESCc1cc(NCC2(F)CCNCC2)c2nc(-c3nnc4c5c(cnn34)N(C)CCO5)ccc2c1
InChIInChI=1S/C24H27FN8O/c1-15-11-16-3-4-17(29-20(16)18(12-15)27-14-24(25)5-7-26-8-6-24)22-30-31-23-21-19(13-28-33(22)23)32(2)9-10-34-21/h3-4,11-13,26-27H,5-10,14H2,1-2H3
InChIKeyLURWYEWOUAIFNC-UHFFFAOYSA-N
MW462.53 g/mol
LogP2.98
Rot. Bonds4

About N-[(4-fluoropiperidin-4-yl)methyl]-6-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

N-[(4-fluoropiperidin-4-yl)methyl]-6-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 (PubChem CID 155524597) has the molecular formula C24H27FN8O and a molecular weight of 462.53 g/mol. Its IUPAC name is N-[(4-fluoropiperidin-4-yl)methyl]-6-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.

Molecular Properties

Compound NameN-[(4-fluoropiperidin-4-yl)methyl]-6-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
PubChem CID155524597
Molecular FormulaC24H27FN8O
Molecular Weight462.53 g/mol
Exact Mass462.23
IUPAC NameN-[(4-fluoropiperidin-4-yl)methyl]-6-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
SMILESCc1cc(NCC2(F)CCNCC2)c2nc(-c3nnc4c5c(cnn34)N(C)CCO5)ccc2c1
InChIInChI=1S/C24H27FN8O/c1-15-11-16-3-4-17(29-20(16)18(12-15)27-14-24(25)5-7-26-8-6-24)22-30-31-23-21-19(13-28-33(22)23)32(2)9-10-34-21/h3-4,11-13,26-27H,5-10,14H2,1-2H3
InChIKeyLURWYEWOUAIFNC-UHFFFAOYSA-N
XLogP2.98
TPSA92.50 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds4
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500462.53
LogP ≤ 52.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

Analyze N-[(4-fluoropiperidin-4-yl)methyl]-6-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 with MolForge

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Frequently Asked Questions

What is the IUPAC name of N-[(4-fluoropiperidin-4-yl)methyl]-6-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?
The IUPAC name of N-[(4-fluoropiperidin-4-yl)methyl]-6-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 155524597) is N-[(4-fluoropiperidin-4-yl)methyl]-6-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.
What is the SMILES notation for N-[(4-fluoropiperidin-4-yl)methyl]-6-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?
The canonical SMILES for N-[(4-fluoropiperidin-4-yl)methyl]-6-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 is Cc1cc(NCC2(F)CCNCC2)c2nc(-c3nnc4c5c(cnn34)N(C)CCO5)ccc2c1.
What is the InChIKey of N-[(4-fluoropiperidin-4-yl)methyl]-6-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?
The InChIKey is LURWYEWOUAIFNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H27FN8O/c1-15-11-16-3-4-17(29-20(16)18(12-15)27-14-24(25)5-7-26-8-6-24)22-30-31-23-21-19(13-28-33(22)23)32(2)9-10-34-21/h3-4,11-13,26-27H,5-10,14H2,1-2H3.
What are the key properties of N-[(4-fluoropiperidin-4-yl)methyl]-6-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?
N-[(4-fluoropiperidin-4-yl)methyl]-6-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 has a molecular weight of 462.53 g/mol, XLogP of 2.98, 4 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-fluoropiperidin-4-yl)methyl]-6-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 is sourced from PubChem (CID 155524597), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).