6-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[2-(5-methoxy-1H-indol-3-yl)ethyl]quinazolin-4-amine

C24H23N5O2 — CID 3232604

IUPAC6-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[2-(5-methoxy-1H-indol-3-yl)ethyl]quinazolin-4-amine
SMILESCOc1ccc2[nH]cc(CCNc3ncnc4ccc(-c5c(C)noc5C)cc34)c2c1
InChIInChI=1S/C24H23N5O2/c1-14-23(15(2)31-29-14)16-4-6-22-20(10-16)24(28-13-27-22)25-9-8-17-12-26-21-7-5-18(30-3)11-19(17)21/h4-7,10-13,26H,8-9H2,1-3H3,(H,25,27,28)
InChIKeyKJYBPECHSKYADV-UHFFFAOYSA-N
MW413.48 g/mol
LogP5.05
Rot. Bonds6

About 6-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[2-(5-methoxy-1H-indol-3-yl)ethyl]quinazolin-4-amine

6-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[2-(5-methoxy-1H-indol-3-yl)ethyl]quinazolin-4-amine (PubChem CID 3232604) has the molecular formula C24H23N5O2 and a molecular weight of 413.48 g/mol. Its IUPAC name is 6-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[2-(5-methoxy-1H-indol-3-yl)ethyl]quinazolin-4-amine.

Molecular Properties

Compound Name6-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[2-(5-methoxy-1H-indol-3-yl)ethyl]quinazolin-4-amine
PubChem CID3232604
Molecular FormulaC24H23N5O2
Molecular Weight413.48 g/mol
Exact Mass413.19
IUPAC Name6-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[2-(5-methoxy-1H-indol-3-yl)ethyl]quinazolin-4-amine
SMILESCOc1ccc2[nH]cc(CCNc3ncnc4ccc(-c5c(C)noc5C)cc34)c2c1
InChIInChI=1S/C24H23N5O2/c1-14-23(15(2)31-29-14)16-4-6-22-20(10-16)24(28-13-27-22)25-9-8-17-12-26-21-7-5-18(30-3)11-19(17)21/h4-7,10-13,26H,8-9H2,1-3H3,(H,25,27,28)
InChIKeyKJYBPECHSKYADV-UHFFFAOYSA-N
XLogP5.05
TPSA88.86 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500413.48
LogP ≤ 55.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 6-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[2-(5-methoxy-1H-indol-3-yl)ethyl]quinazolin-4-amine with MolForge

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Related Compounds

5-[4-(dimethylamino)phenyl]-N-[2-(5-methoxy-1H-indol-3-yl)ethyl]pyrimidin-4-amine
CID 3232824
5-(1,3-benzodioxol-5-yl)-N-[2-(5-methoxy-1H-indol-3-yl)ethyl]pyrimidin-4-amine
CID 3233254
2-[(6-methoxyquinazolin-4-yl)amino]ethanol
CID 21002851
6-(3,5-dimethyl-1,2-oxazol-4-yl)-N-phenylquinazolin-4-amine
CID 3234707
2-(furan-3-yl)-N-[2-(5-methoxy-1H-indol-3-yl)ethyl]quinazolin-4-amine
CID 3235047
6-fluoro-N-[2-(6-fluoro-1H-indol-3-yl)ethyl]quinazolin-4-amine
CID 133278287
N-deuterio-N-[2-(difluoromethoxy)ethyl]-2-(5-methoxy-1H-indol-3-yl)ethanamine
CID 176862230
4-amino-3-[2-(5-methoxy-1H-indol-3-yl)ethylamino]-6-methyl-1,2,4-triazin-5-one
CID 4979636
N-[2-(5-methoxy-1H-indol-3-yl)ethyl]-3-methyl-1,2,4-oxadiazole-5-carboxamide
CID 29147475
N-(2-methoxyethyl)-6-(3-methoxyphenyl)quinazolin-4-amine
CID 3232599
2-N-[2-(5-methoxy-1H-indol-3-yl)ethyl]-4-N-[(2-methyl-3H-benzimidazol-5-yl)methyl]pyrimidine-2,4-diamine
CID 123378787
2-dimethylphosphoryl-N-[2-(5-methoxy-1H-indol-3-yl)ethyl]aniline
CID 167890692

Frequently Asked Questions

What is the IUPAC name of 6-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[2-(5-methoxy-1H-indol-3-yl)ethyl]quinazolin-4-amine?
The IUPAC name of 6-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[2-(5-methoxy-1H-indol-3-yl)ethyl]quinazolin-4-amine (CID 3232604) is 6-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[2-(5-methoxy-1H-indol-3-yl)ethyl]quinazolin-4-amine.
What is the SMILES notation for 6-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[2-(5-methoxy-1H-indol-3-yl)ethyl]quinazolin-4-amine?
The canonical SMILES for 6-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[2-(5-methoxy-1H-indol-3-yl)ethyl]quinazolin-4-amine is COc1ccc2[nH]cc(CCNc3ncnc4ccc(-c5c(C)noc5C)cc34)c2c1.
What is the InChIKey of 6-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[2-(5-methoxy-1H-indol-3-yl)ethyl]quinazolin-4-amine?
The InChIKey is KJYBPECHSKYADV-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23N5O2/c1-14-23(15(2)31-29-14)16-4-6-22-20(10-16)24(28-13-27-22)25-9-8-17-12-26-21-7-5-18(30-3)11-19(17)21/h4-7,10-13,26H,8-9H2,1-3H3,(H,25,27,28).
What are the key properties of 6-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[2-(5-methoxy-1H-indol-3-yl)ethyl]quinazolin-4-amine?
6-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[2-(5-methoxy-1H-indol-3-yl)ethyl]quinazolin-4-amine has a molecular weight of 413.48 g/mol, XLogP of 5.05, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[2-(5-methoxy-1H-indol-3-yl)ethyl]quinazolin-4-amine is sourced from PubChem (CID 3232604), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).