1-N-[6-[5-(2-methoxyethoxy)-3-pyridinyl]quinazolin-4-yl]-4-N,4-N-dimethylcyclohexane-1,4-diamine

C24H31N5O2 — CID 121254771

IUPAC1-N-[6-[5-(2-methoxyethoxy)-3-pyridinyl]quinazolin-4-yl]-4-N,4-N-dimethylcyclohexane-1,4-diamine
SMILESCOCCOc1cncc(-c2ccc3ncnc(NC4CCC(N(C)C)CC4)c3c2)c1
InChIInChI=1S/C24H31N5O2/c1-29(2)20-7-5-19(6-8-20)28-24-22-13-17(4-9-23(22)26-16-27-24)18-12-21(15-25-14-18)31-11-10-30-3/h4,9,12-16,19-20H,5-8,10-11H2,1-3H3,(H,26,27,28)
InChIKeyLCWPQWBNOUNINY-UHFFFAOYSA-N
MW421.55 g/mol
LogP4.00
Rot. Bonds8

About 1-N-[6-[5-(2-methoxyethoxy)-3-pyridinyl]quinazolin-4-yl]-4-N,4-N-dimethylcyclohexane-1,4-diamine

1-N-[6-[5-(2-methoxyethoxy)-3-pyridinyl]quinazolin-4-yl]-4-N,4-N-dimethylcyclohexane-1,4-diamine (PubChem CID 121254771) has the molecular formula C24H31N5O2 and a molecular weight of 421.55 g/mol. Its IUPAC name is 1-N-[6-[5-(2-methoxyethoxy)-3-pyridinyl]quinazolin-4-yl]-4-N,4-N-dimethylcyclohexane-1,4-diamine.

Molecular Properties

Compound Name1-N-[6-[5-(2-methoxyethoxy)-3-pyridinyl]quinazolin-4-yl]-4-N,4-N-dimethylcyclohexane-1,4-diamine
PubChem CID121254771
Molecular FormulaC24H31N5O2
Molecular Weight421.55 g/mol
Exact Mass421.25
IUPAC Name1-N-[6-[5-(2-methoxyethoxy)-3-pyridinyl]quinazolin-4-yl]-4-N,4-N-dimethylcyclohexane-1,4-diamine
SMILESCOCCOc1cncc(-c2ccc3ncnc(NC4CCC(N(C)C)CC4)c3c2)c1
InChIInChI=1S/C24H31N5O2/c1-29(2)20-7-5-19(6-8-20)28-24-22-13-17(4-9-23(22)26-16-27-24)18-12-21(15-25-14-18)31-11-10-30-3/h4,9,12-16,19-20H,5-8,10-11H2,1-3H3,(H,26,27,28)
InChIKeyLCWPQWBNOUNINY-UHFFFAOYSA-N
XLogP4.00
TPSA72.40 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500421.55
LogP ≤ 54.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

Analyze 1-N-[6-[5-(2-methoxyethoxy)-3-pyridinyl]quinazolin-4-yl]-4-N,4-N-dimethylcyclohexane-1,4-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 1-N-[6-[5-(2-methoxyethoxy)-3-pyridinyl]quinazolin-4-yl]-4-N,4-N-dimethylcyclohexane-1,4-diamine?
The IUPAC name of 1-N-[6-[5-(2-methoxyethoxy)-3-pyridinyl]quinazolin-4-yl]-4-N,4-N-dimethylcyclohexane-1,4-diamine (CID 121254771) is 1-N-[6-[5-(2-methoxyethoxy)-3-pyridinyl]quinazolin-4-yl]-4-N,4-N-dimethylcyclohexane-1,4-diamine.
What is the SMILES notation for 1-N-[6-[5-(2-methoxyethoxy)-3-pyridinyl]quinazolin-4-yl]-4-N,4-N-dimethylcyclohexane-1,4-diamine?
The canonical SMILES for 1-N-[6-[5-(2-methoxyethoxy)-3-pyridinyl]quinazolin-4-yl]-4-N,4-N-dimethylcyclohexane-1,4-diamine is COCCOc1cncc(-c2ccc3ncnc(NC4CCC(N(C)C)CC4)c3c2)c1.
What is the InChIKey of 1-N-[6-[5-(2-methoxyethoxy)-3-pyridinyl]quinazolin-4-yl]-4-N,4-N-dimethylcyclohexane-1,4-diamine?
The InChIKey is LCWPQWBNOUNINY-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H31N5O2/c1-29(2)20-7-5-19(6-8-20)28-24-22-13-17(4-9-23(22)26-16-27-24)18-12-21(15-25-14-18)31-11-10-30-3/h4,9,12-16,19-20H,5-8,10-11H2,1-3H3,(H,26,27,28).
What are the key properties of 1-N-[6-[5-(2-methoxyethoxy)-3-pyridinyl]quinazolin-4-yl]-4-N,4-N-dimethylcyclohexane-1,4-diamine?
1-N-[6-[5-(2-methoxyethoxy)-3-pyridinyl]quinazolin-4-yl]-4-N,4-N-dimethylcyclohexane-1,4-diamine has a molecular weight of 421.55 g/mol, XLogP of 4.00, 8 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N-[6-[5-(2-methoxyethoxy)-3-pyridinyl]quinazolin-4-yl]-4-N,4-N-dimethylcyclohexane-1,4-diamine is sourced from PubChem (CID 121254771), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).