N-(1H-indol-6-yl)-6-methoxy-7-[2-(4-methyl-1,3-thiazol-5-yl)ethoxy]quinazolin-4-amine

C23H21N5O2S — CID 22030860

IUPACN-(1H-indol-6-yl)-6-methoxy-7-[2-(4-methyl-1,3-thiazol-5-yl)ethoxy]quinazolin-4-amine
SMILESCOc1cc2c(Nc3ccc4cc[nH]c4c3)ncnc2cc1OCCc1scnc1C
InChIInChI=1S/C23H21N5O2S/c1-14-22(31-13-27-14)6-8-30-21-11-19-17(10-20(21)29-2)23(26-12-25-19)28-16-4-3-15-5-7-24-18(15)9-16/h3-5,7,9-13,24H,6,8H2,1-2H3,(H,25,26,28)
InChIKeySELFLIJVSPTLBW-UHFFFAOYSA-N
MW431.52 g/mol
LogP5.25
Rot. Bonds7

About N-(1H-indol-6-yl)-6-methoxy-7-[2-(4-methyl-1,3-thiazol-5-yl)ethoxy]quinazolin-4-amine

N-(1H-indol-6-yl)-6-methoxy-7-[2-(4-methyl-1,3-thiazol-5-yl)ethoxy]quinazolin-4-amine (PubChem CID 22030860) has the molecular formula C23H21N5O2S and a molecular weight of 431.52 g/mol. Its IUPAC name is N-(1H-indol-6-yl)-6-methoxy-7-[2-(4-methyl-1,3-thiazol-5-yl)ethoxy]quinazolin-4-amine.

Molecular Properties

Compound NameN-(1H-indol-6-yl)-6-methoxy-7-[2-(4-methyl-1,3-thiazol-5-yl)ethoxy]quinazolin-4-amine
PubChem CID22030860
Molecular FormulaC23H21N5O2S
Molecular Weight431.52 g/mol
Exact Mass431.14
IUPAC NameN-(1H-indol-6-yl)-6-methoxy-7-[2-(4-methyl-1,3-thiazol-5-yl)ethoxy]quinazolin-4-amine
SMILESCOc1cc2c(Nc3ccc4cc[nH]c4c3)ncnc2cc1OCCc1scnc1C
InChIInChI=1S/C23H21N5O2S/c1-14-22(31-13-27-14)6-8-30-21-11-19-17(10-20(21)29-2)23(26-12-25-19)28-16-4-3-15-5-7-24-18(15)9-16/h3-5,7,9-13,24H,6,8H2,1-2H3,(H,25,26,28)
InChIKeySELFLIJVSPTLBW-UHFFFAOYSA-N
XLogP5.25
TPSA84.95 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500431.52
LogP ≤ 55.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-(1H-indol-6-yl)-6-methoxy-7-[2-(4-methyl-1,3-thiazol-5-yl)ethoxy]quinazolin-4-amine?
The IUPAC name of N-(1H-indol-6-yl)-6-methoxy-7-[2-(4-methyl-1,3-thiazol-5-yl)ethoxy]quinazolin-4-amine (CID 22030860) is N-(1H-indol-6-yl)-6-methoxy-7-[2-(4-methyl-1,3-thiazol-5-yl)ethoxy]quinazolin-4-amine.
What is the SMILES notation for N-(1H-indol-6-yl)-6-methoxy-7-[2-(4-methyl-1,3-thiazol-5-yl)ethoxy]quinazolin-4-amine?
The canonical SMILES for N-(1H-indol-6-yl)-6-methoxy-7-[2-(4-methyl-1,3-thiazol-5-yl)ethoxy]quinazolin-4-amine is COc1cc2c(Nc3ccc4cc[nH]c4c3)ncnc2cc1OCCc1scnc1C.
What is the InChIKey of N-(1H-indol-6-yl)-6-methoxy-7-[2-(4-methyl-1,3-thiazol-5-yl)ethoxy]quinazolin-4-amine?
The InChIKey is SELFLIJVSPTLBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21N5O2S/c1-14-22(31-13-27-14)6-8-30-21-11-19-17(10-20(21)29-2)23(26-12-25-19)28-16-4-3-15-5-7-24-18(15)9-16/h3-5,7,9-13,24H,6,8H2,1-2H3,(H,25,26,28).
What are the key properties of N-(1H-indol-6-yl)-6-methoxy-7-[2-(4-methyl-1,3-thiazol-5-yl)ethoxy]quinazolin-4-amine?
N-(1H-indol-6-yl)-6-methoxy-7-[2-(4-methyl-1,3-thiazol-5-yl)ethoxy]quinazolin-4-amine has a molecular weight of 431.52 g/mol, XLogP of 5.25, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1H-indol-6-yl)-6-methoxy-7-[2-(4-methyl-1,3-thiazol-5-yl)ethoxy]quinazolin-4-amine is sourced from PubChem (CID 22030860), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).