6,7-bis(2-methoxyethoxy)-N-[3-(triazol-1-yl)phenyl]quinazoline-4-carboxamide

C23H24N6O5 — CID 175094594

IUPAC6,7-bis(2-methoxyethoxy)-N-[3-(triazol-1-yl)phenyl]quinazoline-4-carboxamide
SMILESCOCCOc1cc2ncnc(C(=O)Nc3cccc(-n4ccnn4)c3)c2cc1OCCOC
InChIInChI=1S/C23H24N6O5/c1-31-8-10-33-20-13-18-19(14-21(20)34-11-9-32-2)24-15-25-22(18)23(30)27-16-4-3-5-17(12-16)29-7-6-26-28-29/h3-7,12-15H,8-11H2,1-2H3,(H,27,30)
InChIKeyLPUSHRZQQNSAJO-UHFFFAOYSA-N
MW464.48 g/mol
LogP2.51
Rot. Bonds11

About 6,7-bis(2-methoxyethoxy)-N-[3-(triazol-1-yl)phenyl]quinazoline-4-carboxamide

6,7-bis(2-methoxyethoxy)-N-[3-(triazol-1-yl)phenyl]quinazoline-4-carboxamide (PubChem CID 175094594) has the molecular formula C23H24N6O5 and a molecular weight of 464.48 g/mol. Its IUPAC name is 6,7-bis(2-methoxyethoxy)-N-[3-(triazol-1-yl)phenyl]quinazoline-4-carboxamide.

Molecular Properties

Compound Name6,7-bis(2-methoxyethoxy)-N-[3-(triazol-1-yl)phenyl]quinazoline-4-carboxamide
PubChem CID175094594
Molecular FormulaC23H24N6O5
Molecular Weight464.48 g/mol
Exact Mass464.18
IUPAC Name6,7-bis(2-methoxyethoxy)-N-[3-(triazol-1-yl)phenyl]quinazoline-4-carboxamide
SMILESCOCCOc1cc2ncnc(C(=O)Nc3cccc(-n4ccnn4)c3)c2cc1OCCOC
InChIInChI=1S/C23H24N6O5/c1-31-8-10-33-20-13-18-19(14-21(20)34-11-9-32-2)24-15-25-22(18)23(30)27-16-4-3-5-17(12-16)29-7-6-26-28-29/h3-7,12-15H,8-11H2,1-2H3,(H,27,30)
InChIKeyLPUSHRZQQNSAJO-UHFFFAOYSA-N
XLogP2.51
TPSA122.51 Ų
H-Bond Donors1
H-Bond Acceptors10
Rotatable Bonds11
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500464.48
LogP ≤ 52.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1010

Computed Properties (RDKit)

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

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Related Compounds

N-[3-[1-[(2R,3R)-2-formyl-2,3,4,5-tetrahydro-1H-1-benzazepin-3-yl]triazol-4-yl]phenyl]-6,7-bis(2-methoxyethoxy)quinazoline-4-carboxamide
CID 175085532
4-[[(2R)-butan-2-yl]sulfamoyl]-N-[3-(triazol-1-yl)phenyl]benzamide
CID 97025472
2,2-dimethyl-4-oxo-4-[3-(triazol-1-yl)anilino]butanoic acid
CID 119259712
4-ethoxy-3-methoxy-N-[3-(tetrazol-1-yl)phenyl]benzamide
CID 31504000
2-[2-[4-(3-ethynylanilino)-7-(2-methoxyethoxy)quinazolin-6-yl]oxyethylsulfanyl]acetic acid
CID 18925075
N-[3-methoxy-4-(3-methoxypropoxy)phenyl]-5-(triazol-1-yl)pyridine-3-carboxamide
CID 126800452
5-[4-[3-[[6,7-bis(2-methoxyethoxy)quinazolin-4-yl]amino]phenyl]triazol-1-yl]-2-hydroxybenzoic acid
CID 165151788
2-[4-[7-methoxy-6-(2-methoxyethoxy)quinazolin-4-yl]oxypyrazol-1-yl]-N-(3-methoxyphenyl)acetamide
CID 57393063
N-[3-(2-fluoroethynyl)phenyl]-6,7-bis(2-methoxyethoxy)quinazolin-4-amine
CID 71183994
3,4,5-triethoxy-N-(3-pyrazol-1-ylphenyl)benzamide
CID 55700576
N-(3-tert-butylphenyl)-6,7-bis(2-methoxyethoxy)quinazolin-4-amine;ethane
CID 142379522
3-[3-(triazol-1-yl)phenoxy]propanoic acid
CID 82513165

Frequently Asked Questions

What is the IUPAC name of 6,7-bis(2-methoxyethoxy)-N-[3-(triazol-1-yl)phenyl]quinazoline-4-carboxamide?
The IUPAC name of 6,7-bis(2-methoxyethoxy)-N-[3-(triazol-1-yl)phenyl]quinazoline-4-carboxamide (CID 175094594) is 6,7-bis(2-methoxyethoxy)-N-[3-(triazol-1-yl)phenyl]quinazoline-4-carboxamide.
What is the SMILES notation for 6,7-bis(2-methoxyethoxy)-N-[3-(triazol-1-yl)phenyl]quinazoline-4-carboxamide?
The canonical SMILES for 6,7-bis(2-methoxyethoxy)-N-[3-(triazol-1-yl)phenyl]quinazoline-4-carboxamide is COCCOc1cc2ncnc(C(=O)Nc3cccc(-n4ccnn4)c3)c2cc1OCCOC.
What is the InChIKey of 6,7-bis(2-methoxyethoxy)-N-[3-(triazol-1-yl)phenyl]quinazoline-4-carboxamide?
The InChIKey is LPUSHRZQQNSAJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24N6O5/c1-31-8-10-33-20-13-18-19(14-21(20)34-11-9-32-2)24-15-25-22(18)23(30)27-16-4-3-5-17(12-16)29-7-6-26-28-29/h3-7,12-15H,8-11H2,1-2H3,(H,27,30).
What are the key properties of 6,7-bis(2-methoxyethoxy)-N-[3-(triazol-1-yl)phenyl]quinazoline-4-carboxamide?
6,7-bis(2-methoxyethoxy)-N-[3-(triazol-1-yl)phenyl]quinazoline-4-carboxamide has a molecular weight of 464.48 g/mol, XLogP of 2.51, 11 rotatable bonds, 1 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 6,7-bis(2-methoxyethoxy)-N-[3-(triazol-1-yl)phenyl]quinazoline-4-carboxamide is sourced from PubChem (CID 175094594), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).