methyl N-(15-amino-4-fluoro-17-quinolin-3-yl-10,12,14-triazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(17),2(7),3,5,11,13,15-heptaen-8-yl)carbamate

C25H19FN6O2 — CID 162434200

IUPACmethyl N-(15-amino-4-fluoro-17-quinolin-3-yl-10,12,14-triazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(17),2(7),3,5,11,13,15-heptaen-8-yl)carbamate
SMILESCOC(=O)NC1Cn2c(c(-c3cnc4ccccc4c3)c3c(N)ncnc32)-c2cc(F)ccc21
InChIInChI=1S/C25H19FN6O2/c1-34-25(33)31-19-11-32-22(17-9-15(26)6-7-16(17)19)20(21-23(27)29-12-30-24(21)32)14-8-13-4-2-3-5-18(13)28-10-14/h2-10,12,19H,11H2,1H3,(H,31,33)(H2,27,29,30)
InChIKeyDZGSLRUPPRBSDX-UHFFFAOYSA-N
MW454.47 g/mol
LogP4.45
Rot. Bonds2

About methyl N-(15-amino-4-fluoro-17-quinolin-3-yl-10,12,14-triazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(17),2(7),3,5,11,13,15-heptaen-8-yl)carbamate

methyl N-(15-amino-4-fluoro-17-quinolin-3-yl-10,12,14-triazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(17),2(7),3,5,11,13,15-heptaen-8-yl)carbamate (PubChem CID 162434200) has the molecular formula C25H19FN6O2 and a molecular weight of 454.47 g/mol. Its IUPAC name is methyl N-(15-amino-4-fluoro-17-quinolin-3-yl-10,12,14-triazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(17),2(7),3,5,11,13,15-heptaen-8-yl)carbamate.

Molecular Properties

Compound Namemethyl N-(15-amino-4-fluoro-17-quinolin-3-yl-10,12,14-triazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(17),2(7),3,5,11,13,15-heptaen-8-yl)carbamate
PubChem CID162434200
Molecular FormulaC25H19FN6O2
Molecular Weight454.47 g/mol
Exact Mass454.16
IUPAC Namemethyl N-(15-amino-4-fluoro-17-quinolin-3-yl-10,12,14-triazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(17),2(7),3,5,11,13,15-heptaen-8-yl)carbamate
SMILESCOC(=O)NC1Cn2c(c(-c3cnc4ccccc4c3)c3c(N)ncnc32)-c2cc(F)ccc21
InChIInChI=1S/C25H19FN6O2/c1-34-25(33)31-19-11-32-22(17-9-15(26)6-7-16(17)19)20(21-23(27)29-12-30-24(21)32)14-8-13-4-2-3-5-18(13)28-10-14/h2-10,12,19H,11H2,1H3,(H,31,33)(H2,27,29,30)
InChIKeyDZGSLRUPPRBSDX-UHFFFAOYSA-N
XLogP4.45
TPSA107.95 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500454.47
LogP ≤ 54.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze methyl N-(15-amino-4-fluoro-17-quinolin-3-yl-10,12,14-triazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(17),2(7),3,5,11,13,15-heptaen-8-yl)carbamate with MolForge

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Frequently Asked Questions

What is the IUPAC name of methyl N-(15-amino-4-fluoro-17-quinolin-3-yl-10,12,14-triazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(17),2(7),3,5,11,13,15-heptaen-8-yl)carbamate?
The IUPAC name of methyl N-(15-amino-4-fluoro-17-quinolin-3-yl-10,12,14-triazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(17),2(7),3,5,11,13,15-heptaen-8-yl)carbamate (CID 162434200) is methyl N-(15-amino-4-fluoro-17-quinolin-3-yl-10,12,14-triazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(17),2(7),3,5,11,13,15-heptaen-8-yl)carbamate.
What is the SMILES notation for methyl N-(15-amino-4-fluoro-17-quinolin-3-yl-10,12,14-triazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(17),2(7),3,5,11,13,15-heptaen-8-yl)carbamate?
The canonical SMILES for methyl N-(15-amino-4-fluoro-17-quinolin-3-yl-10,12,14-triazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(17),2(7),3,5,11,13,15-heptaen-8-yl)carbamate is COC(=O)NC1Cn2c(c(-c3cnc4ccccc4c3)c3c(N)ncnc32)-c2cc(F)ccc21.
What is the InChIKey of methyl N-(15-amino-4-fluoro-17-quinolin-3-yl-10,12,14-triazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(17),2(7),3,5,11,13,15-heptaen-8-yl)carbamate?
The InChIKey is DZGSLRUPPRBSDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H19FN6O2/c1-34-25(33)31-19-11-32-22(17-9-15(26)6-7-16(17)19)20(21-23(27)29-12-30-24(21)32)14-8-13-4-2-3-5-18(13)28-10-14/h2-10,12,19H,11H2,1H3,(H,31,33)(H2,27,29,30).
What are the key properties of methyl N-(15-amino-4-fluoro-17-quinolin-3-yl-10,12,14-triazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(17),2(7),3,5,11,13,15-heptaen-8-yl)carbamate?
methyl N-(15-amino-4-fluoro-17-quinolin-3-yl-10,12,14-triazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(17),2(7),3,5,11,13,15-heptaen-8-yl)carbamate has a molecular weight of 454.47 g/mol, XLogP of 4.45, 2 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for methyl N-(15-amino-4-fluoro-17-quinolin-3-yl-10,12,14-triazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(17),2(7),3,5,11,13,15-heptaen-8-yl)carbamate is sourced from PubChem (CID 162434200), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).