N-(2,3-dihydro-1H-indol-6-yl)-2-[4-[6-methoxy-7-(2-methoxyethoxy)quinazolin-4-yl]oxypyrazol-1-yl]acetamide

C25H26N6O5 — CID 69081279

IUPACN-(2,3-dihydro-1H-indol-6-yl)-2-[4-[6-methoxy-7-(2-methoxyethoxy)quinazolin-4-yl]oxypyrazol-1-yl]acetamide
SMILESCOCCOc1cc2ncnc(Oc3cnn(CC(=O)Nc4ccc5c(c4)NCC5)c3)c2cc1OC
InChIInChI=1S/C25H26N6O5/c1-33-7-8-35-23-11-21-19(10-22(23)34-2)25(28-15-27-21)36-18-12-29-31(13-18)14-24(32)30-17-4-3-16-5-6-26-20(16)9-17/h3-4,9-13,15,26H,5-8,14H2,1-2H3,(H,30,32)
InChIKeyMDVOPOIARJWCEO-UHFFFAOYSA-N
MW490.52 g/mol
LogP3.26
Rot. Bonds10

About N-(2,3-dihydro-1H-indol-6-yl)-2-[4-[6-methoxy-7-(2-methoxyethoxy)quinazolin-4-yl]oxypyrazol-1-yl]acetamide

N-(2,3-dihydro-1H-indol-6-yl)-2-[4-[6-methoxy-7-(2-methoxyethoxy)quinazolin-4-yl]oxypyrazol-1-yl]acetamide (PubChem CID 69081279) has the molecular formula C25H26N6O5 and a molecular weight of 490.52 g/mol. Its IUPAC name is N-(2,3-dihydro-1H-indol-6-yl)-2-[4-[6-methoxy-7-(2-methoxyethoxy)quinazolin-4-yl]oxypyrazol-1-yl]acetamide.

Molecular Properties

Compound NameN-(2,3-dihydro-1H-indol-6-yl)-2-[4-[6-methoxy-7-(2-methoxyethoxy)quinazolin-4-yl]oxypyrazol-1-yl]acetamide
PubChem CID69081279
Molecular FormulaC25H26N6O5
Molecular Weight490.52 g/mol
Exact Mass490.20
IUPAC NameN-(2,3-dihydro-1H-indol-6-yl)-2-[4-[6-methoxy-7-(2-methoxyethoxy)quinazolin-4-yl]oxypyrazol-1-yl]acetamide
SMILESCOCCOc1cc2ncnc(Oc3cnn(CC(=O)Nc4ccc5c(c4)NCC5)c3)c2cc1OC
InChIInChI=1S/C25H26N6O5/c1-33-7-8-35-23-11-21-19(10-22(23)34-2)25(28-15-27-21)36-18-12-29-31(13-18)14-24(32)30-17-4-3-16-5-6-26-20(16)9-17/h3-4,9-13,15,26H,5-8,14H2,1-2H3,(H,30,32)
InChIKeyMDVOPOIARJWCEO-UHFFFAOYSA-N
XLogP3.26
TPSA121.65 Ų
H-Bond Donors2
H-Bond Acceptors10
Rotatable Bonds10
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500490.52
LogP ≤ 53.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1010

Computed Properties (RDKit)

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

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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
2-[4-[6-methoxy-7-(2-methoxyethoxy)quinazolin-4-yl]oxypyrazol-1-yl]acetic acid
CID 69074338
tert-butyl 6-[[2-[4-(6,7-dimethoxyquinazolin-4-yl)oxypyrazol-1-yl]acetyl]amino]-2,3-dihydroindole-1-carboxylate
CID 69077685
N-(4-chloro-3-formylphenyl)-2-[4-(6,7-dimethoxyquinazolin-4-yl)oxypyrazol-1-yl]acetamide
CID 86627017
2-[5-(6,7-dimethoxyquinazolin-4-yl)oxy-2-pyridinyl]-N-(1,2,3,4-tetrahydroquinolin-7-yl)acetamide
CID 16730090
2-[4-(6,7-dimethoxyquinazolin-4-yl)oxypyrazol-1-yl]-N-[3-(methylaminomethyl)phenyl]acetamide
CID 69081246
tert-butyl 3-[5-[[2-[4-(6,7-dimethoxyquinazolin-4-yl)oxypyrazol-1-yl]acetyl]amino]-2-methoxyphenoxy]azetidine-1-carboxylate
CID 69077108
tert-butyl 6-[[2-[4-[7-(2,3-dihydroxypropoxy)-6-methoxyquinazolin-4-yl]oxypyrazol-1-yl]acetyl]amino]-2,3-dihydroindole-1-carboxylate
CID 69081458
2-[4-(7-ethoxy-6-methoxyquinazolin-4-yl)oxypyrazol-1-yl]acetic acid
CID 69078853
2-[4-(6,7-dimethoxyquinolin-4-yl)oxypyrazol-1-yl]-N-(3-methoxyphenyl)acetamide
CID 57396541
tert-butyl N-cyclopropyl-N-[[3-[[2-[4-(6,7-dimethoxyquinazolin-4-yl)oxypyrazol-1-yl]acetyl]amino]-5-methylphenyl]methyl]carbamate
CID 69078203
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

Frequently Asked Questions

What is the IUPAC name of N-(2,3-dihydro-1H-indol-6-yl)-2-[4-[6-methoxy-7-(2-methoxyethoxy)quinazolin-4-yl]oxypyrazol-1-yl]acetamide?
The IUPAC name of N-(2,3-dihydro-1H-indol-6-yl)-2-[4-[6-methoxy-7-(2-methoxyethoxy)quinazolin-4-yl]oxypyrazol-1-yl]acetamide (CID 69081279) is N-(2,3-dihydro-1H-indol-6-yl)-2-[4-[6-methoxy-7-(2-methoxyethoxy)quinazolin-4-yl]oxypyrazol-1-yl]acetamide.
What is the SMILES notation for N-(2,3-dihydro-1H-indol-6-yl)-2-[4-[6-methoxy-7-(2-methoxyethoxy)quinazolin-4-yl]oxypyrazol-1-yl]acetamide?
The canonical SMILES for N-(2,3-dihydro-1H-indol-6-yl)-2-[4-[6-methoxy-7-(2-methoxyethoxy)quinazolin-4-yl]oxypyrazol-1-yl]acetamide is COCCOc1cc2ncnc(Oc3cnn(CC(=O)Nc4ccc5c(c4)NCC5)c3)c2cc1OC.
What is the InChIKey of N-(2,3-dihydro-1H-indol-6-yl)-2-[4-[6-methoxy-7-(2-methoxyethoxy)quinazolin-4-yl]oxypyrazol-1-yl]acetamide?
The InChIKey is MDVOPOIARJWCEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H26N6O5/c1-33-7-8-35-23-11-21-19(10-22(23)34-2)25(28-15-27-21)36-18-12-29-31(13-18)14-24(32)30-17-4-3-16-5-6-26-20(16)9-17/h3-4,9-13,15,26H,5-8,14H2,1-2H3,(H,30,32).
What are the key properties of N-(2,3-dihydro-1H-indol-6-yl)-2-[4-[6-methoxy-7-(2-methoxyethoxy)quinazolin-4-yl]oxypyrazol-1-yl]acetamide?
N-(2,3-dihydro-1H-indol-6-yl)-2-[4-[6-methoxy-7-(2-methoxyethoxy)quinazolin-4-yl]oxypyrazol-1-yl]acetamide has a molecular weight of 490.52 g/mol, XLogP of 3.26, 10 rotatable bonds, 2 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,3-dihydro-1H-indol-6-yl)-2-[4-[6-methoxy-7-(2-methoxyethoxy)quinazolin-4-yl]oxypyrazol-1-yl]acetamide is sourced from PubChem (CID 69081279), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).