N-[5-[2-(3,5-dimethoxyphenyl)ethyl]-1H-pyrazol-3-yl]-8-methoxyquinazolin-4-amine

C22H23N5O3 — CID 127045748

IUPACN-[5-[2-(3,5-dimethoxyphenyl)ethyl]-1H-pyrazol-3-yl]-8-methoxyquinazolin-4-amine
SMILESCOc1cc(CCc2cc(Nc3ncnc4c(OC)cccc34)n[nH]2)cc(OC)c1
InChIInChI=1S/C22H23N5O3/c1-28-16-9-14(10-17(12-16)29-2)7-8-15-11-20(27-26-15)25-22-18-5-4-6-19(30-3)21(18)23-13-24-22/h4-6,9-13H,7-8H2,1-3H3,(H2,23,24,25,26,27)
InChIKeyAERRZBRQFXRFDA-UHFFFAOYSA-N
MW405.46 g/mol
LogP3.91
Rot. Bonds8

About N-[5-[2-(3,5-dimethoxyphenyl)ethyl]-1H-pyrazol-3-yl]-8-methoxyquinazolin-4-amine

N-[5-[2-(3,5-dimethoxyphenyl)ethyl]-1H-pyrazol-3-yl]-8-methoxyquinazolin-4-amine (PubChem CID 127045748) has the molecular formula C22H23N5O3 and a molecular weight of 405.46 g/mol. Its IUPAC name is N-[5-[2-(3,5-dimethoxyphenyl)ethyl]-1H-pyrazol-3-yl]-8-methoxyquinazolin-4-amine.

Molecular Properties

Compound NameN-[5-[2-(3,5-dimethoxyphenyl)ethyl]-1H-pyrazol-3-yl]-8-methoxyquinazolin-4-amine
PubChem CID127045748
Molecular FormulaC22H23N5O3
Molecular Weight405.46 g/mol
Exact Mass405.18
IUPAC NameN-[5-[2-(3,5-dimethoxyphenyl)ethyl]-1H-pyrazol-3-yl]-8-methoxyquinazolin-4-amine
SMILESCOc1cc(CCc2cc(Nc3ncnc4c(OC)cccc34)n[nH]2)cc(OC)c1
InChIInChI=1S/C22H23N5O3/c1-28-16-9-14(10-17(12-16)29-2)7-8-15-11-20(27-26-15)25-22-18-5-4-6-19(30-3)21(18)23-13-24-22/h4-6,9-13H,7-8H2,1-3H3,(H2,23,24,25,26,27)
InChIKeyAERRZBRQFXRFDA-UHFFFAOYSA-N
XLogP3.91
TPSA94.18 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.46
LogP ≤ 53.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze N-[5-[2-(3,5-dimethoxyphenyl)ethyl]-1H-pyrazol-3-yl]-8-methoxyquinazolin-4-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-[5-[2-(3,5-dimethoxyphenyl)ethyl]-1H-pyrazol-3-yl]-8-methoxyquinazolin-4-amine?
The IUPAC name of N-[5-[2-(3,5-dimethoxyphenyl)ethyl]-1H-pyrazol-3-yl]-8-methoxyquinazolin-4-amine (CID 127045748) is N-[5-[2-(3,5-dimethoxyphenyl)ethyl]-1H-pyrazol-3-yl]-8-methoxyquinazolin-4-amine.
What is the SMILES notation for N-[5-[2-(3,5-dimethoxyphenyl)ethyl]-1H-pyrazol-3-yl]-8-methoxyquinazolin-4-amine?
The canonical SMILES for N-[5-[2-(3,5-dimethoxyphenyl)ethyl]-1H-pyrazol-3-yl]-8-methoxyquinazolin-4-amine is COc1cc(CCc2cc(Nc3ncnc4c(OC)cccc34)n[nH]2)cc(OC)c1.
What is the InChIKey of N-[5-[2-(3,5-dimethoxyphenyl)ethyl]-1H-pyrazol-3-yl]-8-methoxyquinazolin-4-amine?
The InChIKey is AERRZBRQFXRFDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23N5O3/c1-28-16-9-14(10-17(12-16)29-2)7-8-15-11-20(27-26-15)25-22-18-5-4-6-19(30-3)21(18)23-13-24-22/h4-6,9-13H,7-8H2,1-3H3,(H2,23,24,25,26,27).
What are the key properties of N-[5-[2-(3,5-dimethoxyphenyl)ethyl]-1H-pyrazol-3-yl]-8-methoxyquinazolin-4-amine?
N-[5-[2-(3,5-dimethoxyphenyl)ethyl]-1H-pyrazol-3-yl]-8-methoxyquinazolin-4-amine has a molecular weight of 405.46 g/mol, XLogP of 3.91, 8 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-[2-(3,5-dimethoxyphenyl)ethyl]-1H-pyrazol-3-yl]-8-methoxyquinazolin-4-amine is sourced from PubChem (CID 127045748), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).