N-[2-[(4-amino-6,7-dimethoxyquinazolin-2-yl)amino]ethyl]-5-(1H-indol-2-yl)-1,3,4-oxadiazole-2-carboxamide

C23H22N8O4 — CID 137294008

IUPACN-[2-[(4-amino-6,7-dimethoxyquinazolin-2-yl)amino]ethyl]-5-(1H-indol-2-yl)-1,3,4-oxadiazole-2-carboxamide
SMILESCOc1cc2nc(NCCNC(=O)c3nnc(-c4cc5ccccc5[nH]4)o3)nc(N)c2cc1OC
InChIInChI=1S/C23H22N8O4/c1-33-17-10-13-15(11-18(17)34-2)28-23(29-19(13)24)26-8-7-25-20(32)22-31-30-21(35-22)16-9-12-5-3-4-6-14(12)27-16/h3-6,9-11,27H,7-8H2,1-2H3,(H,25,32)(H3,24,26,28,29)
InChIKeyGSMPEVSVQSGQKO-UHFFFAOYSA-N
MW474.48 g/mol
LogP2.60
Rot. Bonds8

About N-[2-[(4-amino-6,7-dimethoxyquinazolin-2-yl)amino]ethyl]-5-(1H-indol-2-yl)-1,3,4-oxadiazole-2-carboxamide

N-[2-[(4-amino-6,7-dimethoxyquinazolin-2-yl)amino]ethyl]-5-(1H-indol-2-yl)-1,3,4-oxadiazole-2-carboxamide (PubChem CID 137294008) has the molecular formula C23H22N8O4 and a molecular weight of 474.48 g/mol. Its IUPAC name is N-[2-[(4-amino-6,7-dimethoxyquinazolin-2-yl)amino]ethyl]-5-(1H-indol-2-yl)-1,3,4-oxadiazole-2-carboxamide.

Molecular Properties

Compound NameN-[2-[(4-amino-6,7-dimethoxyquinazolin-2-yl)amino]ethyl]-5-(1H-indol-2-yl)-1,3,4-oxadiazole-2-carboxamide
PubChem CID137294008
Molecular FormulaC23H22N8O4
Molecular Weight474.48 g/mol
Exact Mass474.18
IUPAC NameN-[2-[(4-amino-6,7-dimethoxyquinazolin-2-yl)amino]ethyl]-5-(1H-indol-2-yl)-1,3,4-oxadiazole-2-carboxamide
SMILESCOc1cc2nc(NCCNC(=O)c3nnc(-c4cc5ccccc5[nH]4)o3)nc(N)c2cc1OC
InChIInChI=1S/C23H22N8O4/c1-33-17-10-13-15(11-18(17)34-2)28-23(29-19(13)24)26-8-7-25-20(32)22-31-30-21(35-22)16-9-12-5-3-4-6-14(12)27-16/h3-6,9-11,27H,7-8H2,1-2H3,(H,25,32)(H3,24,26,28,29)
InChIKeyGSMPEVSVQSGQKO-UHFFFAOYSA-N
XLogP2.60
TPSA166.10 Ų
H-Bond Donors4
H-Bond Acceptors10
Rotatable Bonds8
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500474.48
LogP ≤ 52.60
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1010

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[2-[(4-amino-6,7-dimethoxyquinazolin-2-yl)amino]ethyl]-5-(1H-indol-2-yl)-1,3,4-oxadiazole-2-carboxamide?
The IUPAC name of N-[2-[(4-amino-6,7-dimethoxyquinazolin-2-yl)amino]ethyl]-5-(1H-indol-2-yl)-1,3,4-oxadiazole-2-carboxamide (CID 137294008) is N-[2-[(4-amino-6,7-dimethoxyquinazolin-2-yl)amino]ethyl]-5-(1H-indol-2-yl)-1,3,4-oxadiazole-2-carboxamide.
What is the SMILES notation for N-[2-[(4-amino-6,7-dimethoxyquinazolin-2-yl)amino]ethyl]-5-(1H-indol-2-yl)-1,3,4-oxadiazole-2-carboxamide?
The canonical SMILES for N-[2-[(4-amino-6,7-dimethoxyquinazolin-2-yl)amino]ethyl]-5-(1H-indol-2-yl)-1,3,4-oxadiazole-2-carboxamide is COc1cc2nc(NCCNC(=O)c3nnc(-c4cc5ccccc5[nH]4)o3)nc(N)c2cc1OC.
What is the InChIKey of N-[2-[(4-amino-6,7-dimethoxyquinazolin-2-yl)amino]ethyl]-5-(1H-indol-2-yl)-1,3,4-oxadiazole-2-carboxamide?
The InChIKey is GSMPEVSVQSGQKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22N8O4/c1-33-17-10-13-15(11-18(17)34-2)28-23(29-19(13)24)26-8-7-25-20(32)22-31-30-21(35-22)16-9-12-5-3-4-6-14(12)27-16/h3-6,9-11,27H,7-8H2,1-2H3,(H,25,32)(H3,24,26,28,29).
What are the key properties of N-[2-[(4-amino-6,7-dimethoxyquinazolin-2-yl)amino]ethyl]-5-(1H-indol-2-yl)-1,3,4-oxadiazole-2-carboxamide?
N-[2-[(4-amino-6,7-dimethoxyquinazolin-2-yl)amino]ethyl]-5-(1H-indol-2-yl)-1,3,4-oxadiazole-2-carboxamide has a molecular weight of 474.48 g/mol, XLogP of 2.60, 8 rotatable bonds, 4 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[(4-amino-6,7-dimethoxyquinazolin-2-yl)amino]ethyl]-5-(1H-indol-2-yl)-1,3,4-oxadiazole-2-carboxamide is sourced from PubChem (CID 137294008), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).