7-(2-chloroethoxy)-4-[(2,3-dimethyl-1H-indol-6-yl)oxy]-6-methoxyquinazoline

C21H20ClN3O3 — CID 11689807

IUPAC7-(2-chloroethoxy)-4-[(2,3-dimethyl-1H-indol-6-yl)oxy]-6-methoxyquinazoline
SMILESCOc1cc2c(Oc3ccc4c(C)c(C)[nH]c4c3)ncnc2cc1OCCCl
InChIInChI=1S/C21H20ClN3O3/c1-12-13(2)25-18-8-14(4-5-15(12)18)28-21-16-9-19(26-3)20(27-7-6-22)10-17(16)23-11-24-21/h4-5,8-11,25H,6-7H2,1-3H3
InChIKeyDYRPODRPBUYEBX-UHFFFAOYSA-N
MW397.86 g/mol
LogP5.15
Rot. Bonds6

About 7-(2-chloroethoxy)-4-[(2,3-dimethyl-1H-indol-6-yl)oxy]-6-methoxyquinazoline

7-(2-chloroethoxy)-4-[(2,3-dimethyl-1H-indol-6-yl)oxy]-6-methoxyquinazoline (PubChem CID 11689807) has the molecular formula C21H20ClN3O3 and a molecular weight of 397.86 g/mol. Its IUPAC name is 7-(2-chloroethoxy)-4-[(2,3-dimethyl-1H-indol-6-yl)oxy]-6-methoxyquinazoline.

Molecular Properties

Compound Name7-(2-chloroethoxy)-4-[(2,3-dimethyl-1H-indol-6-yl)oxy]-6-methoxyquinazoline
PubChem CID11689807
Molecular FormulaC21H20ClN3O3
Molecular Weight397.86 g/mol
Exact Mass397.12
IUPAC Name7-(2-chloroethoxy)-4-[(2,3-dimethyl-1H-indol-6-yl)oxy]-6-methoxyquinazoline
SMILESCOc1cc2c(Oc3ccc4c(C)c(C)[nH]c4c3)ncnc2cc1OCCCl
InChIInChI=1S/C21H20ClN3O3/c1-12-13(2)25-18-8-14(4-5-15(12)18)28-21-16-9-19(26-3)20(27-7-6-22)10-17(16)23-11-24-21/h4-5,8-11,25H,6-7H2,1-3H3
InChIKeyDYRPODRPBUYEBX-UHFFFAOYSA-N
XLogP5.15
TPSA69.26 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500397.86
LogP ≤ 55.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'indol_3yl_alk(461)', 'substructure': 'N/A'}, {'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

7-(2-chloroethoxy)-6-methoxy-4-[(3-methyl-1H-indol-5-yl)oxy]quinazoline
CID 59682910
6-(2-chloroethoxy)-7-methoxy-4-(1H-pyrazol-4-yloxy)quinazoline
CID 173161815
6-methoxy-4-[(2-methyl-1H-indol-5-yl)oxy]-7-(3-piperidin-1-ylpropoxy)quinazoline
CID 22030540
2-[6-methoxy-4-(1H-pyrazol-4-yloxy)quinazolin-7-yl]oxyethanol
CID 173161763
6-methoxy-7-[2-[1-(1-methoxyethyl)piperidin-4-yl]ethoxy]-4-[(2-methyl-1H-indol-5-yl)oxy]quinazoline
CID 57218113
[4-(6,7-dimethoxyquinazolin-4-yl)oxyphenyl] sulfamate
CID 154966615
2-[4-(6,7-dimethoxyquinazolin-4-yl)oxyphenyl]acetyl chloride
CID 86238128
ethane;4-[(4-fluoro-2-methyl-1H-indol-5-yl)oxy]-6-methoxy-7-propoxyquinazoline
CID 142999087
4-(1H-indol-5-yloxy)-6-methoxy-7-[3-(4-methylpiperazin-1-yl)propoxy]quinazoline
CID 22030853
ethyl N-[4-(6,7-dimethoxyquinazolin-4-yl)oxyphenyl]carbamate
CID 54582388
6-methoxy-7-(3-pyrrolidin-1-ylpropoxy)-4-[[2-(trifluoromethyl)-1H-indol-5-yl]oxy]quinazoline
CID 22030572
4-chloro-7-(3-chloropropoxy)-6-methoxyquinazoline
CID 57447227

Frequently Asked Questions

What is the IUPAC name of 7-(2-chloroethoxy)-4-[(2,3-dimethyl-1H-indol-6-yl)oxy]-6-methoxyquinazoline?
The IUPAC name of 7-(2-chloroethoxy)-4-[(2,3-dimethyl-1H-indol-6-yl)oxy]-6-methoxyquinazoline (CID 11689807) is 7-(2-chloroethoxy)-4-[(2,3-dimethyl-1H-indol-6-yl)oxy]-6-methoxyquinazoline.
What is the SMILES notation for 7-(2-chloroethoxy)-4-[(2,3-dimethyl-1H-indol-6-yl)oxy]-6-methoxyquinazoline?
The canonical SMILES for 7-(2-chloroethoxy)-4-[(2,3-dimethyl-1H-indol-6-yl)oxy]-6-methoxyquinazoline is COc1cc2c(Oc3ccc4c(C)c(C)[nH]c4c3)ncnc2cc1OCCCl.
What is the InChIKey of 7-(2-chloroethoxy)-4-[(2,3-dimethyl-1H-indol-6-yl)oxy]-6-methoxyquinazoline?
The InChIKey is DYRPODRPBUYEBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20ClN3O3/c1-12-13(2)25-18-8-14(4-5-15(12)18)28-21-16-9-19(26-3)20(27-7-6-22)10-17(16)23-11-24-21/h4-5,8-11,25H,6-7H2,1-3H3.
What are the key properties of 7-(2-chloroethoxy)-4-[(2,3-dimethyl-1H-indol-6-yl)oxy]-6-methoxyquinazoline?
7-(2-chloroethoxy)-4-[(2,3-dimethyl-1H-indol-6-yl)oxy]-6-methoxyquinazoline has a molecular weight of 397.86 g/mol, XLogP of 5.15, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(2-chloroethoxy)-4-[(2,3-dimethyl-1H-indol-6-yl)oxy]-6-methoxyquinazoline is sourced from PubChem (CID 11689807), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).