2-[4-(6,7-dimethoxyquinazolin-4-yl)oxypyrazol-1-yl]-N-[3-(methylaminomethyl)phenyl]acetamide

C23H24N6O4 — CID 69081246

IUPAC2-[4-(6,7-dimethoxyquinazolin-4-yl)oxypyrazol-1-yl]-N-[3-(methylaminomethyl)phenyl]acetamide
SMILESCNCc1cccc(NC(=O)Cn2cc(Oc3ncnc4cc(OC)c(OC)cc34)cn2)c1
InChIInChI=1S/C23H24N6O4/c1-24-10-15-5-4-6-16(7-15)28-22(30)13-29-12-17(11-27-29)33-23-18-8-20(31-2)21(32-3)9-19(18)25-14-26-23/h4-9,11-12,14,24H,10,13H2,1-3H3,(H,28,30)
InChIKeyVQOVPMPHBXKSOM-UHFFFAOYSA-N
MW448.48 g/mol
LogP2.99
Rot. Bonds9

About 2-[4-(6,7-dimethoxyquinazolin-4-yl)oxypyrazol-1-yl]-N-[3-(methylaminomethyl)phenyl]acetamide

2-[4-(6,7-dimethoxyquinazolin-4-yl)oxypyrazol-1-yl]-N-[3-(methylaminomethyl)phenyl]acetamide (PubChem CID 69081246) has the molecular formula C23H24N6O4 and a molecular weight of 448.48 g/mol. Its IUPAC name is 2-[4-(6,7-dimethoxyquinazolin-4-yl)oxypyrazol-1-yl]-N-[3-(methylaminomethyl)phenyl]acetamide.

Molecular Properties

Compound Name2-[4-(6,7-dimethoxyquinazolin-4-yl)oxypyrazol-1-yl]-N-[3-(methylaminomethyl)phenyl]acetamide
PubChem CID69081246
Molecular FormulaC23H24N6O4
Molecular Weight448.48 g/mol
Exact Mass448.19
IUPAC Name2-[4-(6,7-dimethoxyquinazolin-4-yl)oxypyrazol-1-yl]-N-[3-(methylaminomethyl)phenyl]acetamide
SMILESCNCc1cccc(NC(=O)Cn2cc(Oc3ncnc4cc(OC)c(OC)cc34)cn2)c1
InChIInChI=1S/C23H24N6O4/c1-24-10-15-5-4-6-16(7-15)28-22(30)13-29-12-17(11-27-29)33-23-18-8-20(31-2)21(32-3)9-19(18)25-14-26-23/h4-9,11-12,14,24H,10,13H2,1-3H3,(H,28,30)
InChIKeyVQOVPMPHBXKSOM-UHFFFAOYSA-N
XLogP2.99
TPSA112.42 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds9
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500448.48
LogP ≤ 52.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

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Related Compounds

2-[4-[7-methoxy-6-(2-methoxyethoxy)quinazolin-4-yl]oxypyrazol-1-yl]-N-(3-methoxyphenyl)acetamide
CID 57393063
N-(4-chloro-3-formylphenyl)-2-[4-(6,7-dimethoxyquinazolin-4-yl)oxypyrazol-1-yl]acetamide
CID 86627017
2-[4-(6,7-dimethoxyquinolin-4-yl)oxypyrazol-1-yl]-N-(3-methoxyphenyl)acetamide
CID 57396541
N-(2,3-dihydro-1H-indol-6-yl)-2-[4-[6-methoxy-7-(2-methoxyethoxy)quinazolin-4-yl]oxypyrazol-1-yl]acetamide
CID 69081279
tert-butyl N-[[3-[[2-[4-(6,7-dimethoxyquinazolin-4-yl)oxypyrazol-1-yl]acetyl]amino]-5-methylphenyl]methyl]-N-propan-2-ylcarbamate
CID 69076061
2-[4-(7-ethoxy-6-methoxyquinazolin-4-yl)oxypyrazol-1-yl]acetic acid
CID 69078853
tert-butyl 6-[[2-[4-(6,7-dimethoxyquinazolin-4-yl)oxypyrazol-1-yl]acetyl]amino]-2,3-dihydroindole-1-carboxylate
CID 69077685
tert-butyl 3-[5-[[2-[4-(6,7-dimethoxyquinazolin-4-yl)oxypyrazol-1-yl]acetyl]amino]-2-methoxyphenoxy]azetidine-1-carboxylate
CID 69077108
2-[4-[6-methoxy-7-(2-methoxyethoxy)quinazolin-4-yl]oxypyrazol-1-yl]acetic acid
CID 69074338
2-[4-(6,7-dimethoxyquinazolin-4-yl)oxyphenyl]-N-(3-methoxyphenyl)acetamide
CID 57396557
tert-butyl N-cyclopropyl-N-[[3-[[2-[4-(6,7-dimethoxyquinazolin-4-yl)oxypyrazol-1-yl]acetyl]amino]-5-methylphenyl]methyl]carbamate
CID 69078203
4-(6,7-dimethoxyquinazolin-4-yl)oxy-N-[(3-methoxyphenyl)methyl]benzamide
CID 57394799

Frequently Asked Questions

What is the IUPAC name of 2-[4-(6,7-dimethoxyquinazolin-4-yl)oxypyrazol-1-yl]-N-[3-(methylaminomethyl)phenyl]acetamide?
The IUPAC name of 2-[4-(6,7-dimethoxyquinazolin-4-yl)oxypyrazol-1-yl]-N-[3-(methylaminomethyl)phenyl]acetamide (CID 69081246) is 2-[4-(6,7-dimethoxyquinazolin-4-yl)oxypyrazol-1-yl]-N-[3-(methylaminomethyl)phenyl]acetamide.
What is the SMILES notation for 2-[4-(6,7-dimethoxyquinazolin-4-yl)oxypyrazol-1-yl]-N-[3-(methylaminomethyl)phenyl]acetamide?
The canonical SMILES for 2-[4-(6,7-dimethoxyquinazolin-4-yl)oxypyrazol-1-yl]-N-[3-(methylaminomethyl)phenyl]acetamide is CNCc1cccc(NC(=O)Cn2cc(Oc3ncnc4cc(OC)c(OC)cc34)cn2)c1.
What is the InChIKey of 2-[4-(6,7-dimethoxyquinazolin-4-yl)oxypyrazol-1-yl]-N-[3-(methylaminomethyl)phenyl]acetamide?
The InChIKey is VQOVPMPHBXKSOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24N6O4/c1-24-10-15-5-4-6-16(7-15)28-22(30)13-29-12-17(11-27-29)33-23-18-8-20(31-2)21(32-3)9-19(18)25-14-26-23/h4-9,11-12,14,24H,10,13H2,1-3H3,(H,28,30).
What are the key properties of 2-[4-(6,7-dimethoxyquinazolin-4-yl)oxypyrazol-1-yl]-N-[3-(methylaminomethyl)phenyl]acetamide?
2-[4-(6,7-dimethoxyquinazolin-4-yl)oxypyrazol-1-yl]-N-[3-(methylaminomethyl)phenyl]acetamide has a molecular weight of 448.48 g/mol, XLogP of 2.99, 9 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(6,7-dimethoxyquinazolin-4-yl)oxypyrazol-1-yl]-N-[3-(methylaminomethyl)phenyl]acetamide is sourced from PubChem (CID 69081246), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).