N-[4-[(2-methoxyethylamino)methyl]phenyl]-6-pyridin-4-ylquinazolin-2-amine

C23H23N5O — CID 70702306

IUPACN-[4-[(2-methoxyethylamino)methyl]phenyl]-6-pyridin-4-ylquinazolin-2-amine
SMILESCOCCNCc1ccc(Nc2ncc3cc(-c4ccncc4)ccc3n2)cc1
InChIInChI=1S/C23H23N5O/c1-29-13-12-25-15-17-2-5-21(6-3-17)27-23-26-16-20-14-19(4-7-22(20)28-23)18-8-10-24-11-9-18/h2-11,14,16,25H,12-13,15H2,1H3,(H,26,27,28)
InChIKeyUKKAXPVDQSQDFB-UHFFFAOYSA-N
MW385.47 g/mol
LogP4.17
Rot. Bonds8

About N-[4-[(2-methoxyethylamino)methyl]phenyl]-6-pyridin-4-ylquinazolin-2-amine

N-[4-[(2-methoxyethylamino)methyl]phenyl]-6-pyridin-4-ylquinazolin-2-amine (PubChem CID 70702306) has the molecular formula C23H23N5O and a molecular weight of 385.47 g/mol. Its IUPAC name is N-[4-[(2-methoxyethylamino)methyl]phenyl]-6-pyridin-4-ylquinazolin-2-amine.

Molecular Properties

Compound NameN-[4-[(2-methoxyethylamino)methyl]phenyl]-6-pyridin-4-ylquinazolin-2-amine
PubChem CID70702306
Molecular FormulaC23H23N5O
Molecular Weight385.47 g/mol
Exact Mass385.19
IUPAC NameN-[4-[(2-methoxyethylamino)methyl]phenyl]-6-pyridin-4-ylquinazolin-2-amine
SMILESCOCCNCc1ccc(Nc2ncc3cc(-c4ccncc4)ccc3n2)cc1
InChIInChI=1S/C23H23N5O/c1-29-13-12-25-15-17-2-5-21(6-3-17)27-23-26-16-20-14-19(4-7-22(20)28-23)18-8-10-24-11-9-18/h2-11,14,16,25H,12-13,15H2,1H3,(H,26,27,28)
InChIKeyUKKAXPVDQSQDFB-UHFFFAOYSA-N
XLogP4.17
TPSA71.96 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.47
LogP ≤ 54.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze N-[4-[(2-methoxyethylamino)methyl]phenyl]-6-pyridin-4-ylquinazolin-2-amine 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 N-[4-[(2-methoxyethylamino)methyl]phenyl]-6-pyridin-4-ylquinazolin-2-amine?
The IUPAC name of N-[4-[(2-methoxyethylamino)methyl]phenyl]-6-pyridin-4-ylquinazolin-2-amine (CID 70702306) is N-[4-[(2-methoxyethylamino)methyl]phenyl]-6-pyridin-4-ylquinazolin-2-amine.
What is the SMILES notation for N-[4-[(2-methoxyethylamino)methyl]phenyl]-6-pyridin-4-ylquinazolin-2-amine?
The canonical SMILES for N-[4-[(2-methoxyethylamino)methyl]phenyl]-6-pyridin-4-ylquinazolin-2-amine is COCCNCc1ccc(Nc2ncc3cc(-c4ccncc4)ccc3n2)cc1.
What is the InChIKey of N-[4-[(2-methoxyethylamino)methyl]phenyl]-6-pyridin-4-ylquinazolin-2-amine?
The InChIKey is UKKAXPVDQSQDFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23N5O/c1-29-13-12-25-15-17-2-5-21(6-3-17)27-23-26-16-20-14-19(4-7-22(20)28-23)18-8-10-24-11-9-18/h2-11,14,16,25H,12-13,15H2,1H3,(H,26,27,28).
What are the key properties of N-[4-[(2-methoxyethylamino)methyl]phenyl]-6-pyridin-4-ylquinazolin-2-amine?
N-[4-[(2-methoxyethylamino)methyl]phenyl]-6-pyridin-4-ylquinazolin-2-amine has a molecular weight of 385.47 g/mol, XLogP of 4.17, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[(2-methoxyethylamino)methyl]phenyl]-6-pyridin-4-ylquinazolin-2-amine is sourced from PubChem (CID 70702306), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).