7-(2-chloroethoxy)-6-methoxy-4-[(3-methyl-1H-indol-5-yl)oxy]quinazoline

C20H18ClN3O3 — CID 59682910

IUPAC7-(2-chloroethoxy)-6-methoxy-4-[(3-methyl-1H-indol-5-yl)oxy]quinazoline
SMILESCOc1cc2c(Oc3ccc4[nH]cc(C)c4c3)ncnc2cc1OCCCl
InChIInChI=1S/C20H18ClN3O3/c1-12-10-22-16-4-3-13(7-14(12)16)27-20-15-8-18(25-2)19(26-6-5-21)9-17(15)23-11-24-20/h3-4,7-11,22H,5-6H2,1-2H3
InChIKeyRFBMBAMOTGKAKC-UHFFFAOYSA-N
MW383.84 g/mol
LogP4.84
Rot. Bonds6

About 7-(2-chloroethoxy)-6-methoxy-4-[(3-methyl-1H-indol-5-yl)oxy]quinazoline

7-(2-chloroethoxy)-6-methoxy-4-[(3-methyl-1H-indol-5-yl)oxy]quinazoline (PubChem CID 59682910) has the molecular formula C20H18ClN3O3 and a molecular weight of 383.84 g/mol. Its IUPAC name is 7-(2-chloroethoxy)-6-methoxy-4-[(3-methyl-1H-indol-5-yl)oxy]quinazoline.

Molecular Properties

Compound Name7-(2-chloroethoxy)-6-methoxy-4-[(3-methyl-1H-indol-5-yl)oxy]quinazoline
PubChem CID59682910
Molecular FormulaC20H18ClN3O3
Molecular Weight383.84 g/mol
Exact Mass383.10
IUPAC Name7-(2-chloroethoxy)-6-methoxy-4-[(3-methyl-1H-indol-5-yl)oxy]quinazoline
SMILESCOc1cc2c(Oc3ccc4[nH]cc(C)c4c3)ncnc2cc1OCCCl
InChIInChI=1S/C20H18ClN3O3/c1-12-10-22-16-4-3-13(7-14(12)16)27-20-15-8-18(25-2)19(26-6-5-21)9-17(15)23-11-24-20/h3-4,7-11,22H,5-6H2,1-2H3
InChIKeyRFBMBAMOTGKAKC-UHFFFAOYSA-N
XLogP4.84
TPSA69.26 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.84
LogP ≤ 54.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

7-(2-chloroethoxy)-4-[(2,3-dimethyl-1H-indol-6-yl)oxy]-6-methoxyquinazoline
CID 11689807
1-[4-[2-[6-methoxy-4-[(3-methyl-1H-indol-5-yl)oxy]quinazolin-7-yl]oxyethyl]piperazin-1-yl]propan-2-one
CID 11352302
6-(2-chloroethoxy)-7-methoxy-4-(1H-pyrazol-4-yloxy)quinazoline
CID 173161815
tert-butyl 4-[[6-methoxy-4-[(3-methyl-1H-indol-5-yl)oxy]quinazolin-7-yl]oxymethyl]piperidine-1-carboxylate
CID 22030599
4-(1H-indol-5-yloxy)-6-methoxy-7-[3-(4-methylpiperazin-1-yl)propoxy]quinazoline
CID 22030853
2-[6-methoxy-4-(1H-pyrazol-4-yloxy)quinazolin-7-yl]oxyethanol
CID 173161763
6-methoxy-4-[(2-methyl-1H-indol-5-yl)oxy]-7-(3-piperidin-1-ylpropoxy)quinazoline
CID 22030540
2-[4-(6,7-dimethoxyquinazolin-4-yl)oxyphenyl]acetyl chloride
CID 86238128
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
ethane;4-[(4-fluoro-2-methyl-1H-indol-5-yl)oxy]-6-methoxy-7-propoxyquinazoline
CID 142999087
6-methoxy-7-(3-pyrrolidin-1-ylpropoxy)-4-[[2-(trifluoromethyl)-1H-indol-5-yl]oxy]quinazoline
CID 22030572

Frequently Asked Questions

What is the IUPAC name of 7-(2-chloroethoxy)-6-methoxy-4-[(3-methyl-1H-indol-5-yl)oxy]quinazoline?
The IUPAC name of 7-(2-chloroethoxy)-6-methoxy-4-[(3-methyl-1H-indol-5-yl)oxy]quinazoline (CID 59682910) is 7-(2-chloroethoxy)-6-methoxy-4-[(3-methyl-1H-indol-5-yl)oxy]quinazoline.
What is the SMILES notation for 7-(2-chloroethoxy)-6-methoxy-4-[(3-methyl-1H-indol-5-yl)oxy]quinazoline?
The canonical SMILES for 7-(2-chloroethoxy)-6-methoxy-4-[(3-methyl-1H-indol-5-yl)oxy]quinazoline is COc1cc2c(Oc3ccc4[nH]cc(C)c4c3)ncnc2cc1OCCCl.
What is the InChIKey of 7-(2-chloroethoxy)-6-methoxy-4-[(3-methyl-1H-indol-5-yl)oxy]quinazoline?
The InChIKey is RFBMBAMOTGKAKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18ClN3O3/c1-12-10-22-16-4-3-13(7-14(12)16)27-20-15-8-18(25-2)19(26-6-5-21)9-17(15)23-11-24-20/h3-4,7-11,22H,5-6H2,1-2H3.
What are the key properties of 7-(2-chloroethoxy)-6-methoxy-4-[(3-methyl-1H-indol-5-yl)oxy]quinazoline?
7-(2-chloroethoxy)-6-methoxy-4-[(3-methyl-1H-indol-5-yl)oxy]quinazoline has a molecular weight of 383.84 g/mol, XLogP of 4.84, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(2-chloroethoxy)-6-methoxy-4-[(3-methyl-1H-indol-5-yl)oxy]quinazoline is sourced from PubChem (CID 59682910), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).