N-methyl-N-(quinoxalin-6-ylmethyl)-1-(4,6,7-trimethylquinazolin-2-yl)piperidin-4-amine

C26H30N6 — CID 118757626

IUPACN-methyl-N-(quinoxalin-6-ylmethyl)-1-(4,6,7-trimethylquinazolin-2-yl)piperidin-4-amine
SMILESCc1cc2nc(N3CCC(N(C)Cc4ccc5nccnc5c4)CC3)nc(C)c2cc1C
InChIInChI=1S/C26H30N6/c1-17-13-22-19(3)29-26(30-24(22)14-18(17)2)32-11-7-21(8-12-32)31(4)16-20-5-6-23-25(15-20)28-10-9-27-23/h5-6,9-10,13-15,21H,7-8,11-12,16H2,1-4H3
InChIKeyKNPJGBMGRYSVKE-UHFFFAOYSA-N
MW426.57 g/mol
LogP4.60
Rot. Bonds4

About N-methyl-N-(quinoxalin-6-ylmethyl)-1-(4,6,7-trimethylquinazolin-2-yl)piperidin-4-amine

N-methyl-N-(quinoxalin-6-ylmethyl)-1-(4,6,7-trimethylquinazolin-2-yl)piperidin-4-amine (PubChem CID 118757626) has the molecular formula C26H30N6 and a molecular weight of 426.57 g/mol. Its IUPAC name is N-methyl-N-(quinoxalin-6-ylmethyl)-1-(4,6,7-trimethylquinazolin-2-yl)piperidin-4-amine.

Molecular Properties

Compound NameN-methyl-N-(quinoxalin-6-ylmethyl)-1-(4,6,7-trimethylquinazolin-2-yl)piperidin-4-amine
PubChem CID118757626
Molecular FormulaC26H30N6
Molecular Weight426.57 g/mol
Exact Mass426.25
IUPAC NameN-methyl-N-(quinoxalin-6-ylmethyl)-1-(4,6,7-trimethylquinazolin-2-yl)piperidin-4-amine
SMILESCc1cc2nc(N3CCC(N(C)Cc4ccc5nccnc5c4)CC3)nc(C)c2cc1C
InChIInChI=1S/C26H30N6/c1-17-13-22-19(3)29-26(30-24(22)14-18(17)2)32-11-7-21(8-12-32)31(4)16-20-5-6-23-25(15-20)28-10-9-27-23/h5-6,9-10,13-15,21H,7-8,11-12,16H2,1-4H3
InChIKeyKNPJGBMGRYSVKE-UHFFFAOYSA-N
XLogP4.60
TPSA58.04 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500426.57
LogP ≤ 54.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-methyl-N-(quinoxalin-6-ylmethyl)-1-(4,6,7-trimethylquinazolin-2-yl)piperidin-4-amine?
The IUPAC name of N-methyl-N-(quinoxalin-6-ylmethyl)-1-(4,6,7-trimethylquinazolin-2-yl)piperidin-4-amine (CID 118757626) is N-methyl-N-(quinoxalin-6-ylmethyl)-1-(4,6,7-trimethylquinazolin-2-yl)piperidin-4-amine.
What is the SMILES notation for N-methyl-N-(quinoxalin-6-ylmethyl)-1-(4,6,7-trimethylquinazolin-2-yl)piperidin-4-amine?
The canonical SMILES for N-methyl-N-(quinoxalin-6-ylmethyl)-1-(4,6,7-trimethylquinazolin-2-yl)piperidin-4-amine is Cc1cc2nc(N3CCC(N(C)Cc4ccc5nccnc5c4)CC3)nc(C)c2cc1C.
What is the InChIKey of N-methyl-N-(quinoxalin-6-ylmethyl)-1-(4,6,7-trimethylquinazolin-2-yl)piperidin-4-amine?
The InChIKey is KNPJGBMGRYSVKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H30N6/c1-17-13-22-19(3)29-26(30-24(22)14-18(17)2)32-11-7-21(8-12-32)31(4)16-20-5-6-23-25(15-20)28-10-9-27-23/h5-6,9-10,13-15,21H,7-8,11-12,16H2,1-4H3.
What are the key properties of N-methyl-N-(quinoxalin-6-ylmethyl)-1-(4,6,7-trimethylquinazolin-2-yl)piperidin-4-amine?
N-methyl-N-(quinoxalin-6-ylmethyl)-1-(4,6,7-trimethylquinazolin-2-yl)piperidin-4-amine has a molecular weight of 426.57 g/mol, XLogP of 4.60, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-(quinoxalin-6-ylmethyl)-1-(4,6,7-trimethylquinazolin-2-yl)piperidin-4-amine is sourced from PubChem (CID 118757626), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).