N-[5-[2-(3,5-dimethoxyphenyl)ethyl]-1H-pyrazol-3-yl]-6-(2-methoxyethoxy)quinazolin-4-amine

C24H27N5O4 — CID 127047355

IUPACN-[5-[2-(3,5-dimethoxyphenyl)ethyl]-1H-pyrazol-3-yl]-6-(2-methoxyethoxy)quinazolin-4-amine
SMILESCOCCOc1ccc2ncnc(Nc3cc(CCc4cc(OC)cc(OC)c4)[nH]n3)c2c1
InChIInChI=1S/C24H27N5O4/c1-30-8-9-33-18-6-7-22-21(14-18)24(26-15-25-22)27-23-12-17(28-29-23)5-4-16-10-19(31-2)13-20(11-16)32-3/h6-7,10-15H,4-5,8-9H2,1-3H3,(H2,25,26,27,28,29)
InChIKeyFYBAUDQLSMYJTD-UHFFFAOYSA-N
MW449.51 g/mol
LogP3.92
Rot. Bonds11

About N-[5-[2-(3,5-dimethoxyphenyl)ethyl]-1H-pyrazol-3-yl]-6-(2-methoxyethoxy)quinazolin-4-amine

N-[5-[2-(3,5-dimethoxyphenyl)ethyl]-1H-pyrazol-3-yl]-6-(2-methoxyethoxy)quinazolin-4-amine (PubChem CID 127047355) has the molecular formula C24H27N5O4 and a molecular weight of 449.51 g/mol. Its IUPAC name is N-[5-[2-(3,5-dimethoxyphenyl)ethyl]-1H-pyrazol-3-yl]-6-(2-methoxyethoxy)quinazolin-4-amine.

Molecular Properties

Compound NameN-[5-[2-(3,5-dimethoxyphenyl)ethyl]-1H-pyrazol-3-yl]-6-(2-methoxyethoxy)quinazolin-4-amine
PubChem CID127047355
Molecular FormulaC24H27N5O4
Molecular Weight449.51 g/mol
Exact Mass449.21
IUPAC NameN-[5-[2-(3,5-dimethoxyphenyl)ethyl]-1H-pyrazol-3-yl]-6-(2-methoxyethoxy)quinazolin-4-amine
SMILESCOCCOc1ccc2ncnc(Nc3cc(CCc4cc(OC)cc(OC)c4)[nH]n3)c2c1
InChIInChI=1S/C24H27N5O4/c1-30-8-9-33-18-6-7-22-21(14-18)24(26-15-25-22)27-23-12-17(28-29-23)5-4-16-10-19(31-2)13-20(11-16)32-3/h6-7,10-15H,4-5,8-9H2,1-3H3,(H2,25,26,27,28,29)
InChIKeyFYBAUDQLSMYJTD-UHFFFAOYSA-N
XLogP3.92
TPSA103.41 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds11
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500449.51
LogP ≤ 53.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

Analyze N-[5-[2-(3,5-dimethoxyphenyl)ethyl]-1H-pyrazol-3-yl]-6-(2-methoxyethoxy)quinazolin-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

Related Compounds

7-(1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)-N-[5-[2-(3,5-dimethoxyphenyl)ethyl]-1H-pyrazol-3-yl]quinazolin-4-amine
CID 127047969
5-(3,5-Dimethoxybenzyl)[1,2,4]triazolo[1,5-C]quinazolin-2-Amine
CID 67042932
6-methoxy-3,8-dimethyl-N-(pyridin-4-ylmethyl)-2H-pyrazolo[3,4-b]quinolin-4-amine
CID 57390415
(6-methoxy-3,8-dimethyl-2H-pyrazolo[3,4-b]quinolin-4-yl)-pyridin-4-ylmethanol
CID 57403779
N-[5-[2-(3,5-dimethoxyphenyl)ethyl]-1H-pyrazol-3-yl]-7-(4-ethylpiperazin-1-yl)quinazolin-4-amine
CID 127045945
N-[5-[2-(3,5-dimethoxyphenyl)ethyl]-1H-pyrazol-3-yl]-7-(4-methylpiperazin-1-yl)quinazolin-4-amine
CID 127045973
N-[5-[2-(3,5-dimethoxyphenyl)ethyl]-1H-pyrazol-3-yl]-7-(4-propan-2-ylpiperazin-1-yl)quinazolin-4-amine
CID 127045974
N-[5-[2-(3,5-dimethoxyphenyl)ethyl]-1H-pyrazol-3-yl]-7-[3-(dimethylamino)pyrrolidin-1-yl]quinazolin-4-amine
CID 127046432
N-[5-[2-(3,5-dimethoxyphenyl)ethyl]-1H-pyrazol-3-yl]-7-[(3R,5S)-3,4,5-trimethylpiperazin-1-yl]quinazolin-4-amine
CID 127046442
N-[5-[2-(3,5-dimethoxyphenyl)ethyl]-1H-pyrazol-3-yl]-7-(4-methyl-1,4-diazepan-1-yl)quinazolin-4-amine
CID 127046443
2-chloro-N-[5-[2-(3,5-dimethoxyphenyl)ethyl]-1H-pyrazol-3-yl]-7-(4-ethylpiperazin-1-yl)quinazolin-4-amine
CID 127046448
N-[5-[2-(3,5-dimethoxyphenyl)ethyl]-1H-pyrazol-3-yl]-7-[4-(dimethylamino)piperidin-1-yl]quinazolin-4-amine
CID 127046609

Frequently Asked Questions

What is the IUPAC name of N-[5-[2-(3,5-dimethoxyphenyl)ethyl]-1H-pyrazol-3-yl]-6-(2-methoxyethoxy)quinazolin-4-amine?
The IUPAC name of N-[5-[2-(3,5-dimethoxyphenyl)ethyl]-1H-pyrazol-3-yl]-6-(2-methoxyethoxy)quinazolin-4-amine (CID 127047355) is N-[5-[2-(3,5-dimethoxyphenyl)ethyl]-1H-pyrazol-3-yl]-6-(2-methoxyethoxy)quinazolin-4-amine.
What is the SMILES notation for N-[5-[2-(3,5-dimethoxyphenyl)ethyl]-1H-pyrazol-3-yl]-6-(2-methoxyethoxy)quinazolin-4-amine?
The canonical SMILES for N-[5-[2-(3,5-dimethoxyphenyl)ethyl]-1H-pyrazol-3-yl]-6-(2-methoxyethoxy)quinazolin-4-amine is COCCOc1ccc2ncnc(Nc3cc(CCc4cc(OC)cc(OC)c4)[nH]n3)c2c1.
What is the InChIKey of N-[5-[2-(3,5-dimethoxyphenyl)ethyl]-1H-pyrazol-3-yl]-6-(2-methoxyethoxy)quinazolin-4-amine?
The InChIKey is FYBAUDQLSMYJTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H27N5O4/c1-30-8-9-33-18-6-7-22-21(14-18)24(26-15-25-22)27-23-12-17(28-29-23)5-4-16-10-19(31-2)13-20(11-16)32-3/h6-7,10-15H,4-5,8-9H2,1-3H3,(H2,25,26,27,28,29).
What are the key properties of N-[5-[2-(3,5-dimethoxyphenyl)ethyl]-1H-pyrazol-3-yl]-6-(2-methoxyethoxy)quinazolin-4-amine?
N-[5-[2-(3,5-dimethoxyphenyl)ethyl]-1H-pyrazol-3-yl]-6-(2-methoxyethoxy)quinazolin-4-amine has a molecular weight of 449.51 g/mol, XLogP of 3.92, 11 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-[2-(3,5-dimethoxyphenyl)ethyl]-1H-pyrazol-3-yl]-6-(2-methoxyethoxy)quinazolin-4-amine is sourced from PubChem (CID 127047355), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).