ethyl N-[3-[4-(5-amino-3-pyridin-2-yl-1,2,4-triazol-1-yl)-7-methoxyquinazolin-6-yl]oxypropyl]carbamate

C22H24N8O4 — CID 127025922

IUPACethyl N-[3-[4-(5-amino-3-pyridin-2-yl-1,2,4-triazol-1-yl)-7-methoxyquinazolin-6-yl]oxypropyl]carbamate
SMILESCCOC(=O)NCCCOc1cc2c(-n3nc(-c4ccccn4)nc3N)ncnc2cc1OC
InChIInChI=1S/C22H24N8O4/c1-3-33-22(31)25-9-6-10-34-18-11-14-16(12-17(18)32-2)26-13-27-20(14)30-21(23)28-19(29-30)15-7-4-5-8-24-15/h4-5,7-8,11-13H,3,6,9-10H2,1-2H3,(H,25,31)(H2,23,28,29)
InChIKeyWQDNTDGJAFCZMM-UHFFFAOYSA-N
MW464.49 g/mol
LogP2.38
Rot. Bonds9

About ethyl N-[3-[4-(5-amino-3-pyridin-2-yl-1,2,4-triazol-1-yl)-7-methoxyquinazolin-6-yl]oxypropyl]carbamate

ethyl N-[3-[4-(5-amino-3-pyridin-2-yl-1,2,4-triazol-1-yl)-7-methoxyquinazolin-6-yl]oxypropyl]carbamate (PubChem CID 127025922) has the molecular formula C22H24N8O4 and a molecular weight of 464.49 g/mol. Its IUPAC name is ethyl N-[3-[4-(5-amino-3-pyridin-2-yl-1,2,4-triazol-1-yl)-7-methoxyquinazolin-6-yl]oxypropyl]carbamate.

Molecular Properties

Compound Nameethyl N-[3-[4-(5-amino-3-pyridin-2-yl-1,2,4-triazol-1-yl)-7-methoxyquinazolin-6-yl]oxypropyl]carbamate
PubChem CID127025922
Molecular FormulaC22H24N8O4
Molecular Weight464.49 g/mol
Exact Mass464.19
IUPAC Nameethyl N-[3-[4-(5-amino-3-pyridin-2-yl-1,2,4-triazol-1-yl)-7-methoxyquinazolin-6-yl]oxypropyl]carbamate
SMILESCCOC(=O)NCCCOc1cc2c(-n3nc(-c4ccccn4)nc3N)ncnc2cc1OC
InChIInChI=1S/C22H24N8O4/c1-3-33-22(31)25-9-6-10-34-18-11-14-16(12-17(18)32-2)26-13-27-20(14)30-21(23)28-19(29-30)15-7-4-5-8-24-15/h4-5,7-8,11-13H,3,6,9-10H2,1-2H3,(H,25,31)(H2,23,28,29)
InChIKeyWQDNTDGJAFCZMM-UHFFFAOYSA-N
XLogP2.38
TPSA152.19 Ų
H-Bond Donors2
H-Bond Acceptors11
Rotatable Bonds9
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500464.49
LogP ≤ 52.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1011

Computed Properties (RDKit)

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

Analyze ethyl N-[3-[4-(5-amino-3-pyridin-2-yl-1,2,4-triazol-1-yl)-7-methoxyquinazolin-6-yl]oxypropyl]carbamate with MolForge

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Related Compounds

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6-methoxy-N-(3-methoxyphenyl)-7-(3-morpholin-4-ylpropoxy)quinazolin-4-amine
CID 5330170
6-methoxy-N-(4-methoxyphenyl)-7-(3-morpholin-4-ylpropoxy)quinazolin-4-amine
CID 5330172
3-[(8,9-Dimethoxy-2-phenyl-[1,2,4]triazolo[1,5-c]quinazolin-5-yl)amino]propyl-diethyl-amine
CID 6622924

Frequently Asked Questions

What is the IUPAC name of ethyl N-[3-[4-(5-amino-3-pyridin-2-yl-1,2,4-triazol-1-yl)-7-methoxyquinazolin-6-yl]oxypropyl]carbamate?
The IUPAC name of ethyl N-[3-[4-(5-amino-3-pyridin-2-yl-1,2,4-triazol-1-yl)-7-methoxyquinazolin-6-yl]oxypropyl]carbamate (CID 127025922) is ethyl N-[3-[4-(5-amino-3-pyridin-2-yl-1,2,4-triazol-1-yl)-7-methoxyquinazolin-6-yl]oxypropyl]carbamate.
What is the SMILES notation for ethyl N-[3-[4-(5-amino-3-pyridin-2-yl-1,2,4-triazol-1-yl)-7-methoxyquinazolin-6-yl]oxypropyl]carbamate?
The canonical SMILES for ethyl N-[3-[4-(5-amino-3-pyridin-2-yl-1,2,4-triazol-1-yl)-7-methoxyquinazolin-6-yl]oxypropyl]carbamate is CCOC(=O)NCCCOc1cc2c(-n3nc(-c4ccccn4)nc3N)ncnc2cc1OC.
What is the InChIKey of ethyl N-[3-[4-(5-amino-3-pyridin-2-yl-1,2,4-triazol-1-yl)-7-methoxyquinazolin-6-yl]oxypropyl]carbamate?
The InChIKey is WQDNTDGJAFCZMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24N8O4/c1-3-33-22(31)25-9-6-10-34-18-11-14-16(12-17(18)32-2)26-13-27-20(14)30-21(23)28-19(29-30)15-7-4-5-8-24-15/h4-5,7-8,11-13H,3,6,9-10H2,1-2H3,(H,25,31)(H2,23,28,29).
What are the key properties of ethyl N-[3-[4-(5-amino-3-pyridin-2-yl-1,2,4-triazol-1-yl)-7-methoxyquinazolin-6-yl]oxypropyl]carbamate?
ethyl N-[3-[4-(5-amino-3-pyridin-2-yl-1,2,4-triazol-1-yl)-7-methoxyquinazolin-6-yl]oxypropyl]carbamate has a molecular weight of 464.49 g/mol, XLogP of 2.38, 9 rotatable bonds, 2 hydrogen bond donors, and 11 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl N-[3-[4-(5-amino-3-pyridin-2-yl-1,2,4-triazol-1-yl)-7-methoxyquinazolin-6-yl]oxypropyl]carbamate is sourced from PubChem (CID 127025922), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).