[2-[2-(cyclohexylamino)-2-oxoethoxy]phenyl]-oxoazanium;2-N,4-N,4-N-trimethylquinazoline-2,4-diamine

C25H33N6O3+ — CID 142230267

IUPAC[2-[2-(cyclohexylamino)-2-oxoethoxy]phenyl]-oxoazanium;2-N,4-N,4-N-trimethylquinazoline-2,4-diamine
SMILESCNc1nc(N(C)C)c2ccccc2n1.O=[NH+]c1ccccc1OCC(=O)NC1CCCCC1
InChIInChI=1S/C14H18N2O3.C11H14N4/c17-14(15-11-6-2-1-3-7-11)10-19-13-9-5-4-8-12(13)16-18;1-12-11-13-9-7-5-4-6-8(9)10(14-11)15(2)3/h4-5,8-9,11H,1-3,6-7,10H2,(H,15,17);4-7H,1-3H3,(H,12,13,14)/p+1
InChIKeyFDORKTWSWQWHTN-UHFFFAOYSA-O
MW465.58 g/mol
LogP2.73
Rot. Bonds7

About [2-[2-(cyclohexylamino)-2-oxoethoxy]phenyl]-oxoazanium;2-N,4-N,4-N-trimethylquinazoline-2,4-diamine

[2-[2-(cyclohexylamino)-2-oxoethoxy]phenyl]-oxoazanium;2-N,4-N,4-N-trimethylquinazoline-2,4-diamine (PubChem CID 142230267) has the molecular formula C25H33N6O3+ and a molecular weight of 465.58 g/mol. Its IUPAC name is [2-[2-(cyclohexylamino)-2-oxoethoxy]phenyl]-oxoazanium;2-N,4-N,4-N-trimethylquinazoline-2,4-diamine.

Molecular Properties

Compound Name[2-[2-(cyclohexylamino)-2-oxoethoxy]phenyl]-oxoazanium;2-N,4-N,4-N-trimethylquinazoline-2,4-diamine
PubChem CID142230267
Molecular FormulaC25H33N6O3+
Molecular Weight465.58 g/mol
Exact Mass465.26
IUPAC Name[2-[2-(cyclohexylamino)-2-oxoethoxy]phenyl]-oxoazanium;2-N,4-N,4-N-trimethylquinazoline-2,4-diamine
SMILESCNc1nc(N(C)C)c2ccccc2n1.O=[NH+]c1ccccc1OCC(=O)NC1CCCCC1
InChIInChI=1S/C14H18N2O3.C11H14N4/c17-14(15-11-6-2-1-3-7-11)10-19-13-9-5-4-8-12(13)16-18;1-12-11-13-9-7-5-4-6-8(9)10(14-11)15(2)3/h4-5,8-9,11H,1-3,6-7,10H2,(H,15,17);4-7H,1-3H3,(H,12,13,14)/p+1
InChIKeyFDORKTWSWQWHTN-UHFFFAOYSA-O
XLogP2.73
TPSA110.42 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500465.58
LogP ≤ 52.73
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Analyze [2-[2-(cyclohexylamino)-2-oxoethoxy]phenyl]-oxoazanium;2-N,4-N,4-N-trimethylquinazoline-2,4-diamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of [2-[2-(cyclohexylamino)-2-oxoethoxy]phenyl]-oxoazanium;2-N,4-N,4-N-trimethylquinazoline-2,4-diamine?
The IUPAC name of [2-[2-(cyclohexylamino)-2-oxoethoxy]phenyl]-oxoazanium;2-N,4-N,4-N-trimethylquinazoline-2,4-diamine (CID 142230267) is [2-[2-(cyclohexylamino)-2-oxoethoxy]phenyl]-oxoazanium;2-N,4-N,4-N-trimethylquinazoline-2,4-diamine.
What is the SMILES notation for [2-[2-(cyclohexylamino)-2-oxoethoxy]phenyl]-oxoazanium;2-N,4-N,4-N-trimethylquinazoline-2,4-diamine?
The canonical SMILES for [2-[2-(cyclohexylamino)-2-oxoethoxy]phenyl]-oxoazanium;2-N,4-N,4-N-trimethylquinazoline-2,4-diamine is CNc1nc(N(C)C)c2ccccc2n1.O=[NH+]c1ccccc1OCC(=O)NC1CCCCC1.
What is the InChIKey of [2-[2-(cyclohexylamino)-2-oxoethoxy]phenyl]-oxoazanium;2-N,4-N,4-N-trimethylquinazoline-2,4-diamine?
The InChIKey is FDORKTWSWQWHTN-UHFFFAOYSA-O. The full InChI is InChI=1S/C14H18N2O3.C11H14N4/c17-14(15-11-6-2-1-3-7-11)10-19-13-9-5-4-8-12(13)16-18;1-12-11-13-9-7-5-4-6-8(9)10(14-11)15(2)3/h4-5,8-9,11H,1-3,6-7,10H2,(H,15,17);4-7H,1-3H3,(H,12,13,14)/p+1.
What are the key properties of [2-[2-(cyclohexylamino)-2-oxoethoxy]phenyl]-oxoazanium;2-N,4-N,4-N-trimethylquinazoline-2,4-diamine?
[2-[2-(cyclohexylamino)-2-oxoethoxy]phenyl]-oxoazanium;2-N,4-N,4-N-trimethylquinazoline-2,4-diamine has a molecular weight of 465.58 g/mol, XLogP of 2.73, 7 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[2-(cyclohexylamino)-2-oxoethoxy]phenyl]-oxoazanium;2-N,4-N,4-N-trimethylquinazoline-2,4-diamine is sourced from PubChem (CID 142230267), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).