2-[4-[6-methoxy-7-(2-methoxyethoxy)quinazolin-4-yl]oxypyrazol-1-yl]acetic acid

C17H18N4O6 — CID 69074338

IUPAC2-[4-[6-methoxy-7-(2-methoxyethoxy)quinazolin-4-yl]oxypyrazol-1-yl]acetic acid
SMILESCOCCOc1cc2ncnc(Oc3cnn(CC(=O)O)c3)c2cc1OC
InChIInChI=1S/C17H18N4O6/c1-24-3-4-26-15-6-13-12(5-14(15)25-2)17(19-10-18-13)27-11-7-20-21(8-11)9-16(22)23/h5-8,10H,3-4,9H2,1-2H3,(H,22,23)
InChIKeyPGFRNUOYKDZODY-UHFFFAOYSA-N
MW374.35 g/mol
LogP1.74
Rot. Bonds9

About 2-[4-[6-methoxy-7-(2-methoxyethoxy)quinazolin-4-yl]oxypyrazol-1-yl]acetic acid

2-[4-[6-methoxy-7-(2-methoxyethoxy)quinazolin-4-yl]oxypyrazol-1-yl]acetic acid (PubChem CID 69074338) has the molecular formula C17H18N4O6 and a molecular weight of 374.35 g/mol. Its IUPAC name is 2-[4-[6-methoxy-7-(2-methoxyethoxy)quinazolin-4-yl]oxypyrazol-1-yl]acetic acid.

Molecular Properties

Compound Name2-[4-[6-methoxy-7-(2-methoxyethoxy)quinazolin-4-yl]oxypyrazol-1-yl]acetic acid
PubChem CID69074338
Molecular FormulaC17H18N4O6
Molecular Weight374.35 g/mol
Exact Mass374.12
IUPAC Name2-[4-[6-methoxy-7-(2-methoxyethoxy)quinazolin-4-yl]oxypyrazol-1-yl]acetic acid
SMILESCOCCOc1cc2ncnc(Oc3cnn(CC(=O)O)c3)c2cc1OC
InChIInChI=1S/C17H18N4O6/c1-24-3-4-26-15-6-13-12(5-14(15)25-2)17(19-10-18-13)27-11-7-20-21(8-11)9-16(22)23/h5-8,10H,3-4,9H2,1-2H3,(H,22,23)
InChIKeyPGFRNUOYKDZODY-UHFFFAOYSA-N
XLogP1.74
TPSA117.82 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds9
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.35
LogP ≤ 51.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

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

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Related Compounds

2-[4-(7-ethoxy-6-methoxyquinazolin-4-yl)oxypyrazol-1-yl]acetic acid
CID 69078853
2-[4-[7-methoxy-6-(2-methoxyethoxy)quinazolin-4-yl]oxypyrazol-1-yl]-N-(3-methoxyphenyl)acetamide
CID 57393063
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 2-[4-[7-[2-(4-acetylpiperazin-1-yl)ethoxy]-6-methoxyquinazolin-4-yl]oxypyrazol-1-yl]acetate
CID 69075090
2-[4-(6,7-dimethoxyquinazolin-4-yl)oxypyrazol-1-yl]-N-[3-(methylaminomethyl)phenyl]acetamide
CID 69081246
N-(4-chloro-3-formylphenyl)-2-[4-(6,7-dimethoxyquinazolin-4-yl)oxypyrazol-1-yl]acetamide
CID 86627017
2-[6-methoxy-4-(1H-pyrazol-4-yloxy)quinazolin-7-yl]oxyethanol
CID 173161763
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
6-(2-chloroethoxy)-7-methoxy-4-(1H-pyrazol-4-yloxy)quinazoline
CID 173161815
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-[6,7-bis(2-methoxyethoxy)quinazolin-4-yl]oxy-3-fluorophenyl]acetic acid
CID 66907480

Frequently Asked Questions

What is the IUPAC name of 2-[4-[6-methoxy-7-(2-methoxyethoxy)quinazolin-4-yl]oxypyrazol-1-yl]acetic acid?
The IUPAC name of 2-[4-[6-methoxy-7-(2-methoxyethoxy)quinazolin-4-yl]oxypyrazol-1-yl]acetic acid (CID 69074338) is 2-[4-[6-methoxy-7-(2-methoxyethoxy)quinazolin-4-yl]oxypyrazol-1-yl]acetic acid.
What is the SMILES notation for 2-[4-[6-methoxy-7-(2-methoxyethoxy)quinazolin-4-yl]oxypyrazol-1-yl]acetic acid?
The canonical SMILES for 2-[4-[6-methoxy-7-(2-methoxyethoxy)quinazolin-4-yl]oxypyrazol-1-yl]acetic acid is COCCOc1cc2ncnc(Oc3cnn(CC(=O)O)c3)c2cc1OC.
What is the InChIKey of 2-[4-[6-methoxy-7-(2-methoxyethoxy)quinazolin-4-yl]oxypyrazol-1-yl]acetic acid?
The InChIKey is PGFRNUOYKDZODY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N4O6/c1-24-3-4-26-15-6-13-12(5-14(15)25-2)17(19-10-18-13)27-11-7-20-21(8-11)9-16(22)23/h5-8,10H,3-4,9H2,1-2H3,(H,22,23).
What are the key properties of 2-[4-[6-methoxy-7-(2-methoxyethoxy)quinazolin-4-yl]oxypyrazol-1-yl]acetic acid?
2-[4-[6-methoxy-7-(2-methoxyethoxy)quinazolin-4-yl]oxypyrazol-1-yl]acetic acid has a molecular weight of 374.35 g/mol, XLogP of 1.74, 9 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[6-methoxy-7-(2-methoxyethoxy)quinazolin-4-yl]oxypyrazol-1-yl]acetic acid is sourced from PubChem (CID 69074338), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).