7-(2-aminoethoxy)-2-N,4-N-dihexyl-6-methoxyquinazoline-2,4-diamine

C23H39N5O2 — CID 171853001

IUPAC7-(2-aminoethoxy)-2-N,4-N-dihexyl-6-methoxyquinazoline-2,4-diamine
SMILESCCCCCCNc1nc(NCCCCCC)c2cc(OC)c(OCCN)cc2n1
InChIInChI=1S/C23H39N5O2/c1-4-6-8-10-13-25-22-18-16-20(29-3)21(30-15-12-24)17-19(18)27-23(28-22)26-14-11-9-7-5-2/h16-17H,4-15,24H2,1-3H3,(H2,25,26,27,28)
InChIKeyPPQMLMAHAVBLBV-UHFFFAOYSA-N
MW417.60 g/mol
LogP4.96
Rot. Bonds16

About 7-(2-aminoethoxy)-2-N,4-N-dihexyl-6-methoxyquinazoline-2,4-diamine

7-(2-aminoethoxy)-2-N,4-N-dihexyl-6-methoxyquinazoline-2,4-diamine (PubChem CID 171853001) has the molecular formula C23H39N5O2 and a molecular weight of 417.60 g/mol. Its IUPAC name is 7-(2-aminoethoxy)-2-N,4-N-dihexyl-6-methoxyquinazoline-2,4-diamine.

Molecular Properties

Compound Name7-(2-aminoethoxy)-2-N,4-N-dihexyl-6-methoxyquinazoline-2,4-diamine
PubChem CID171853001
Molecular FormulaC23H39N5O2
Molecular Weight417.60 g/mol
Exact Mass417.31
IUPAC Name7-(2-aminoethoxy)-2-N,4-N-dihexyl-6-methoxyquinazoline-2,4-diamine
SMILESCCCCCCNc1nc(NCCCCCC)c2cc(OC)c(OCCN)cc2n1
InChIInChI=1S/C23H39N5O2/c1-4-6-8-10-13-25-22-18-16-20(29-3)21(30-15-12-24)17-19(18)27-23(28-22)26-14-11-9-7-5-2/h16-17H,4-15,24H2,1-3H3,(H2,25,26,27,28)
InChIKeyPPQMLMAHAVBLBV-UHFFFAOYSA-N
XLogP4.96
TPSA94.32 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds16
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500417.60
LogP ≤ 54.96
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 7-(2-aminoethoxy)-2-N,4-N-dihexyl-6-methoxyquinazoline-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

Related Compounds

4-N-[1-[2-[2-[2-[2-[2-(2-aminoethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethyl]piperidin-4-yl]-2-N-hexyl-6,7-dimethoxyquinazoline-2,4-diamine
CID 163403995
N-butyl-2-chloro-6,7-dimethoxyquinazolin-4-amine
CID 22692586
3-amino-N-[3-[6-methoxy-2,4-bis(methylamino)quinazolin-7-yl]oxypropyl]propanamide
CID 171852998
N-butyl-6,7-dimethoxy-2-pyrrolidin-1-ylquinazolin-4-amine
CID 162652644
2-N-[6-[2-[2-[6-[(4-amino-6,7-dimethoxyquinazolin-2-yl)amino]hexylamino]ethyldisulfanyl]ethylamino]hexyl]-6,7-dimethoxyquinazoline-2,4-diamine
CID 10010336
2,7-dimethoxy-3,6,10,11-tetrapentoxytriphenylene
CID 10054806
N-(2-chloro-6,7-dimethoxyquinazolin-4-yl)-N',N'-dimethylbutane-1,4-diamine
CID 22692934
7-[3-[ethyl(methyl)amino]propoxy]-4-N-(5-ethyl-1H-pyrazol-3-yl)-6-methoxy-2-N-(2-methoxyethyl)quinazoline-2,4-diamine
CID 165146467
2-N-(2-aminoethyl)-6,7-dimethoxyquinazoline-2,4-diamine;2-chloro-6,7-dimethoxyquinazolin-4-amine;ethane-1,2-diamine
CID 158035672
2,3,6,7-tetrakis-decoxy-11,12-dimethoxybenzo[b]triphenylene
CID 122383547
11-decoxy-2,3,6,7,12-pentahexoxyphenanthro[9,10-b]quinoxaline
CID 101484638
N-decyl-4,6-dimethoxypyrimidin-2-amine
CID 115355214

Frequently Asked Questions

What is the IUPAC name of 7-(2-aminoethoxy)-2-N,4-N-dihexyl-6-methoxyquinazoline-2,4-diamine?
The IUPAC name of 7-(2-aminoethoxy)-2-N,4-N-dihexyl-6-methoxyquinazoline-2,4-diamine (CID 171853001) is 7-(2-aminoethoxy)-2-N,4-N-dihexyl-6-methoxyquinazoline-2,4-diamine.
What is the SMILES notation for 7-(2-aminoethoxy)-2-N,4-N-dihexyl-6-methoxyquinazoline-2,4-diamine?
The canonical SMILES for 7-(2-aminoethoxy)-2-N,4-N-dihexyl-6-methoxyquinazoline-2,4-diamine is CCCCCCNc1nc(NCCCCCC)c2cc(OC)c(OCCN)cc2n1.
What is the InChIKey of 7-(2-aminoethoxy)-2-N,4-N-dihexyl-6-methoxyquinazoline-2,4-diamine?
The InChIKey is PPQMLMAHAVBLBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H39N5O2/c1-4-6-8-10-13-25-22-18-16-20(29-3)21(30-15-12-24)17-19(18)27-23(28-22)26-14-11-9-7-5-2/h16-17H,4-15,24H2,1-3H3,(H2,25,26,27,28).
What are the key properties of 7-(2-aminoethoxy)-2-N,4-N-dihexyl-6-methoxyquinazoline-2,4-diamine?
7-(2-aminoethoxy)-2-N,4-N-dihexyl-6-methoxyquinazoline-2,4-diamine has a molecular weight of 417.60 g/mol, XLogP of 4.96, 16 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(2-aminoethoxy)-2-N,4-N-dihexyl-6-methoxyquinazoline-2,4-diamine is sourced from PubChem (CID 171853001), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).