N-[4-[[2-(2-fluoropropan-2-yl)-6-methylquinolin-4-yl]amino]cyclohexyl]-N,3-dimethyl-4-oxoimidazo[5,1-d][1,2,3,5]tetrazine-8-carboxamide

C26H31FN8O2 — CID 167099361

IUPACN-[4-[[2-(2-fluoropropan-2-yl)-6-methylquinolin-4-yl]amino]cyclohexyl]-N,3-dimethyl-4-oxoimidazo[5,1-d][1,2,3,5]tetrazine-8-carboxamide
SMILESCc1ccc2nc(C(C)(C)F)cc(NC3CCC(N(C)C(=O)c4ncn5c(=O)n(C)nnc45)CC3)c2c1
InChIInChI=1S/C26H31FN8O2/c1-15-6-11-19-18(12-15)20(13-21(30-19)26(2,3)27)29-16-7-9-17(10-8-16)33(4)24(36)22-23-31-32-34(5)25(37)35(23)14-28-22/h6,11-14,16-17H,7-10H2,1-5H3,(H,29,30)
InChIKeyIBTUHGZQPOYBNC-UHFFFAOYSA-N
MW506.59 g/mol
LogP3.38
Rot. Bonds5

About N-[4-[[2-(2-fluoropropan-2-yl)-6-methylquinolin-4-yl]amino]cyclohexyl]-N,3-dimethyl-4-oxoimidazo[5,1-d][1,2,3,5]tetrazine-8-carboxamide

N-[4-[[2-(2-fluoropropan-2-yl)-6-methylquinolin-4-yl]amino]cyclohexyl]-N,3-dimethyl-4-oxoimidazo[5,1-d][1,2,3,5]tetrazine-8-carboxamide (PubChem CID 167099361) has the molecular formula C26H31FN8O2 and a molecular weight of 506.59 g/mol. Its IUPAC name is N-[4-[[2-(2-fluoropropan-2-yl)-6-methylquinolin-4-yl]amino]cyclohexyl]-N,3-dimethyl-4-oxoimidazo[5,1-d][1,2,3,5]tetrazine-8-carboxamide.

Molecular Properties

Compound NameN-[4-[[2-(2-fluoropropan-2-yl)-6-methylquinolin-4-yl]amino]cyclohexyl]-N,3-dimethyl-4-oxoimidazo[5,1-d][1,2,3,5]tetrazine-8-carboxamide
PubChem CID167099361
Molecular FormulaC26H31FN8O2
Molecular Weight506.59 g/mol
Exact Mass506.26
IUPAC NameN-[4-[[2-(2-fluoropropan-2-yl)-6-methylquinolin-4-yl]amino]cyclohexyl]-N,3-dimethyl-4-oxoimidazo[5,1-d][1,2,3,5]tetrazine-8-carboxamide
SMILESCc1ccc2nc(C(C)(C)F)cc(NC3CCC(N(C)C(=O)c4ncn5c(=O)n(C)nnc45)CC3)c2c1
InChIInChI=1S/C26H31FN8O2/c1-15-6-11-19-18(12-15)20(13-21(30-19)26(2,3)27)29-16-7-9-17(10-8-16)33(4)24(36)22-23-31-32-34(5)25(37)35(23)14-28-22/h6,11-14,16-17H,7-10H2,1-5H3,(H,29,30)
InChIKeyIBTUHGZQPOYBNC-UHFFFAOYSA-N
XLogP3.38
TPSA110.31 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds5
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500506.59
LogP ≤ 53.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

Analyze N-[4-[[2-(2-fluoropropan-2-yl)-6-methylquinolin-4-yl]amino]cyclohexyl]-N,3-dimethyl-4-oxoimidazo[5,1-d][1,2,3,5]tetrazine-8-carboxamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of N-[4-[[2-(2-fluoropropan-2-yl)-6-methylquinolin-4-yl]amino]cyclohexyl]-N,3-dimethyl-4-oxoimidazo[5,1-d][1,2,3,5]tetrazine-8-carboxamide?
The IUPAC name of N-[4-[[2-(2-fluoropropan-2-yl)-6-methylquinolin-4-yl]amino]cyclohexyl]-N,3-dimethyl-4-oxoimidazo[5,1-d][1,2,3,5]tetrazine-8-carboxamide (CID 167099361) is N-[4-[[2-(2-fluoropropan-2-yl)-6-methylquinolin-4-yl]amino]cyclohexyl]-N,3-dimethyl-4-oxoimidazo[5,1-d][1,2,3,5]tetrazine-8-carboxamide.
What is the SMILES notation for N-[4-[[2-(2-fluoropropan-2-yl)-6-methylquinolin-4-yl]amino]cyclohexyl]-N,3-dimethyl-4-oxoimidazo[5,1-d][1,2,3,5]tetrazine-8-carboxamide?
The canonical SMILES for N-[4-[[2-(2-fluoropropan-2-yl)-6-methylquinolin-4-yl]amino]cyclohexyl]-N,3-dimethyl-4-oxoimidazo[5,1-d][1,2,3,5]tetrazine-8-carboxamide is Cc1ccc2nc(C(C)(C)F)cc(NC3CCC(N(C)C(=O)c4ncn5c(=O)n(C)nnc45)CC3)c2c1.
What is the InChIKey of N-[4-[[2-(2-fluoropropan-2-yl)-6-methylquinolin-4-yl]amino]cyclohexyl]-N,3-dimethyl-4-oxoimidazo[5,1-d][1,2,3,5]tetrazine-8-carboxamide?
The InChIKey is IBTUHGZQPOYBNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H31FN8O2/c1-15-6-11-19-18(12-15)20(13-21(30-19)26(2,3)27)29-16-7-9-17(10-8-16)33(4)24(36)22-23-31-32-34(5)25(37)35(23)14-28-22/h6,11-14,16-17H,7-10H2,1-5H3,(H,29,30).
What are the key properties of N-[4-[[2-(2-fluoropropan-2-yl)-6-methylquinolin-4-yl]amino]cyclohexyl]-N,3-dimethyl-4-oxoimidazo[5,1-d][1,2,3,5]tetrazine-8-carboxamide?
N-[4-[[2-(2-fluoropropan-2-yl)-6-methylquinolin-4-yl]amino]cyclohexyl]-N,3-dimethyl-4-oxoimidazo[5,1-d][1,2,3,5]tetrazine-8-carboxamide has a molecular weight of 506.59 g/mol, XLogP of 3.38, 5 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[[2-(2-fluoropropan-2-yl)-6-methylquinolin-4-yl]amino]cyclohexyl]-N,3-dimethyl-4-oxoimidazo[5,1-d][1,2,3,5]tetrazine-8-carboxamide is sourced from PubChem (CID 167099361), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).