N-[5-[2-(3,5-dimethoxyphenyl)ethyl]-1H-pyrazol-3-yl]-7-(4-ethylpiperazin-1-yl)-2-propylquinazolin-4-amine

C30H39N7O2 — CID 127047297

IUPACN-[5-[2-(3,5-dimethoxyphenyl)ethyl]-1H-pyrazol-3-yl]-7-(4-ethylpiperazin-1-yl)-2-propylquinazolin-4-amine
SMILESCCCc1nc(Nc2cc(CCc3cc(OC)cc(OC)c3)[nH]n2)c2ccc(N3CCN(CC)CC3)cc2n1
InChIInChI=1S/C30H39N7O2/c1-5-7-28-31-27-19-23(37-14-12-36(6-2)13-15-37)10-11-26(27)30(32-28)33-29-18-22(34-35-29)9-8-21-16-24(38-3)20-25(17-21)39-4/h10-11,16-20H,5-9,12-15H2,1-4H3,(H2,31,32,33,34,35)
InChIKeyZUJFWAZLOHHIFQ-UHFFFAOYSA-N
MW529.69 g/mol
LogP4.99
Rot. Bonds11

About N-[5-[2-(3,5-dimethoxyphenyl)ethyl]-1H-pyrazol-3-yl]-7-(4-ethylpiperazin-1-yl)-2-propylquinazolin-4-amine

N-[5-[2-(3,5-dimethoxyphenyl)ethyl]-1H-pyrazol-3-yl]-7-(4-ethylpiperazin-1-yl)-2-propylquinazolin-4-amine (PubChem CID 127047297) has the molecular formula C30H39N7O2 and a molecular weight of 529.69 g/mol. Its IUPAC name is N-[5-[2-(3,5-dimethoxyphenyl)ethyl]-1H-pyrazol-3-yl]-7-(4-ethylpiperazin-1-yl)-2-propylquinazolin-4-amine.

Molecular Properties

Compound NameN-[5-[2-(3,5-dimethoxyphenyl)ethyl]-1H-pyrazol-3-yl]-7-(4-ethylpiperazin-1-yl)-2-propylquinazolin-4-amine
PubChem CID127047297
Molecular FormulaC30H39N7O2
Molecular Weight529.69 g/mol
Exact Mass529.32
IUPAC NameN-[5-[2-(3,5-dimethoxyphenyl)ethyl]-1H-pyrazol-3-yl]-7-(4-ethylpiperazin-1-yl)-2-propylquinazolin-4-amine
SMILESCCCc1nc(Nc2cc(CCc3cc(OC)cc(OC)c3)[nH]n2)c2ccc(N3CCN(CC)CC3)cc2n1
InChIInChI=1S/C30H39N7O2/c1-5-7-28-31-27-19-23(37-14-12-36(6-2)13-15-37)10-11-26(27)30(32-28)33-29-18-22(34-35-29)9-8-21-16-24(38-3)20-25(17-21)39-4/h10-11,16-20H,5-9,12-15H2,1-4H3,(H2,31,32,33,34,35)
InChIKeyZUJFWAZLOHHIFQ-UHFFFAOYSA-N
XLogP4.99
TPSA91.43 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds11
Heavy Atoms39
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500529.69
LogP ≤ 54.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Related Compounds

6-(3,5-Dimethoxyphenyl)-3-(4-fluorophenyl)-1H-pyrazolo[3,4-b]pyridine
CID 24786010
CID 136387462
CID 136387462
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
2-[5-[2-(3,5-dimethoxyphenyl)ethyl]-1H-pyrazol-3-yl]-6-[[4-(4-methylpiperazin-1-yl)piperidin-1-yl]methyl]-1H-benzimidazole
CID 136387443
2-[5-[2-(3,5-dimethoxyphenyl)ethyl]-1H-pyrazol-3-yl]-6-[(4-methylpiperazin-1-yl)methyl]-1H-benzimidazole
CID 136387444
6-Methoxy-3,8-Dimethyl-4-(Piperazin-1-Yl)-1h-Pyrazolo[3,4-B]quinoline
CID 46239840
5-(3,5-Dimethoxybenzyl)[1,2,4]triazolo[1,5-C]quinazolin-2-Amine
CID 67042932
N-[5-[2-(3,5-dimethoxyphenyl)ethyl]-1H-pyrazol-3-yl]-7-(4-ethylpiperazin-1-yl)quinazolin-4-amine
CID 127045945
N-[5-[2-(2,6-dichloro-3,5-dimethoxyphenyl)ethyl]-1H-pyrazol-3-yl]-7-(4-ethylpiperazin-1-yl)quinazolin-4-amine
CID 127045946
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

Frequently Asked Questions

What is the IUPAC name of N-[5-[2-(3,5-dimethoxyphenyl)ethyl]-1H-pyrazol-3-yl]-7-(4-ethylpiperazin-1-yl)-2-propylquinazolin-4-amine?
The IUPAC name of N-[5-[2-(3,5-dimethoxyphenyl)ethyl]-1H-pyrazol-3-yl]-7-(4-ethylpiperazin-1-yl)-2-propylquinazolin-4-amine (CID 127047297) is N-[5-[2-(3,5-dimethoxyphenyl)ethyl]-1H-pyrazol-3-yl]-7-(4-ethylpiperazin-1-yl)-2-propylquinazolin-4-amine.
What is the SMILES notation for N-[5-[2-(3,5-dimethoxyphenyl)ethyl]-1H-pyrazol-3-yl]-7-(4-ethylpiperazin-1-yl)-2-propylquinazolin-4-amine?
The canonical SMILES for N-[5-[2-(3,5-dimethoxyphenyl)ethyl]-1H-pyrazol-3-yl]-7-(4-ethylpiperazin-1-yl)-2-propylquinazolin-4-amine is CCCc1nc(Nc2cc(CCc3cc(OC)cc(OC)c3)[nH]n2)c2ccc(N3CCN(CC)CC3)cc2n1.
What is the InChIKey of N-[5-[2-(3,5-dimethoxyphenyl)ethyl]-1H-pyrazol-3-yl]-7-(4-ethylpiperazin-1-yl)-2-propylquinazolin-4-amine?
The InChIKey is ZUJFWAZLOHHIFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H39N7O2/c1-5-7-28-31-27-19-23(37-14-12-36(6-2)13-15-37)10-11-26(27)30(32-28)33-29-18-22(34-35-29)9-8-21-16-24(38-3)20-25(17-21)39-4/h10-11,16-20H,5-9,12-15H2,1-4H3,(H2,31,32,33,34,35).
What are the key properties of N-[5-[2-(3,5-dimethoxyphenyl)ethyl]-1H-pyrazol-3-yl]-7-(4-ethylpiperazin-1-yl)-2-propylquinazolin-4-amine?
N-[5-[2-(3,5-dimethoxyphenyl)ethyl]-1H-pyrazol-3-yl]-7-(4-ethylpiperazin-1-yl)-2-propylquinazolin-4-amine has a molecular weight of 529.69 g/mol, XLogP of 4.99, 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]-7-(4-ethylpiperazin-1-yl)-2-propylquinazolin-4-amine is sourced from PubChem (CID 127047297), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).