tert-butyl 4-[[6-methoxy-4-[(3-methyl-1H-indol-5-yl)oxy]quinazolin-7-yl]oxymethyl]piperidine-1-carboxylate

C29H34N4O5 — CID 22030599

IUPACtert-butyl 4-[[6-methoxy-4-[(3-methyl-1H-indol-5-yl)oxy]quinazolin-7-yl]oxymethyl]piperidine-1-carboxylate
SMILESCOc1cc2c(Oc3ccc4[nH]cc(C)c4c3)ncnc2cc1OCC1CCN(C(=O)OC(C)(C)C)CC1
InChIInChI=1S/C29H34N4O5/c1-18-15-30-23-7-6-20(12-21(18)23)37-27-22-13-25(35-5)26(14-24(22)31-17-32-27)36-16-19-8-10-33(11-9-19)28(34)38-29(2,3)4/h6-7,12-15,17,19,30H,8-11,16H2,1-5H3
InChIKeyMLHDCOMEKHHELM-UHFFFAOYSA-N
MW518.61 g/mol
LogP6.25
Rot. Bonds6

About tert-butyl 4-[[6-methoxy-4-[(3-methyl-1H-indol-5-yl)oxy]quinazolin-7-yl]oxymethyl]piperidine-1-carboxylate

tert-butyl 4-[[6-methoxy-4-[(3-methyl-1H-indol-5-yl)oxy]quinazolin-7-yl]oxymethyl]piperidine-1-carboxylate (PubChem CID 22030599) has the molecular formula C29H34N4O5 and a molecular weight of 518.61 g/mol. Its IUPAC name is tert-butyl 4-[[6-methoxy-4-[(3-methyl-1H-indol-5-yl)oxy]quinazolin-7-yl]oxymethyl]piperidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 4-[[6-methoxy-4-[(3-methyl-1H-indol-5-yl)oxy]quinazolin-7-yl]oxymethyl]piperidine-1-carboxylate
PubChem CID22030599
Molecular FormulaC29H34N4O5
Molecular Weight518.61 g/mol
Exact Mass518.25
IUPAC Nametert-butyl 4-[[6-methoxy-4-[(3-methyl-1H-indol-5-yl)oxy]quinazolin-7-yl]oxymethyl]piperidine-1-carboxylate
SMILESCOc1cc2c(Oc3ccc4[nH]cc(C)c4c3)ncnc2cc1OCC1CCN(C(=O)OC(C)(C)C)CC1
InChIInChI=1S/C29H34N4O5/c1-18-15-30-23-7-6-20(12-21(18)23)37-27-22-13-25(35-5)26(14-24(22)31-17-32-27)36-16-19-8-10-33(11-9-19)28(34)38-29(2,3)4/h6-7,12-15,17,19,30H,8-11,16H2,1-5H3
InChIKeyMLHDCOMEKHHELM-UHFFFAOYSA-N
XLogP6.25
TPSA98.80 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500518.61
LogP ≤ 56.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze tert-butyl 4-[[6-methoxy-4-[(3-methyl-1H-indol-5-yl)oxy]quinazolin-7-yl]oxymethyl]piperidine-1-carboxylate with MolForge

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Launch Full Analysis

Related Compounds

7-(2-chloroethoxy)-6-methoxy-4-[(3-methyl-1H-indol-5-yl)oxy]quinazoline
CID 59682910
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
tert-butyl 4-[6-methoxy-4-[(2-methyl-1H-indol-6-yl)oxy]quinazolin-7-yl]oxypiperidine-1-carboxylate;6-methoxy-4-[(2-methyl-1H-indol-6-yl)oxy]-7-piperidin-4-yloxyquinazoline
CID 161264566
tert-butyl 4-[[4-[2-fluoro-4-[[1-[(4-fluorophenyl)carbamoyl]cyclopropanecarbonyl]amino]phenoxy]-6-methoxyquinazolin-7-yl]oxymethyl]piperidine-1-carboxylate
CID 58830572
6-methoxy-4-(3-methylphenoxy)-7-[(1-methylpiperidin-4-yl)methoxy]quinazoline
CID 143865456
N-(4-bromo-2-fluorophenyl)-6-methoxy-7-(piperidin-4-ylmethoxy)quinazolin-4-amine;tert-butyl 4-[[4-(4-bromo-2-fluoroanilino)-6-methoxyquinazolin-7-yl]oxymethyl]piperidine-1-carboxylate
CID 158046171
2-chloroacetyl chloride;2-chloro-1-[4-[[6-methoxy-4-[(2-methyl-1H-inden-5-yl)oxy]quinazolin-7-yl]oxymethyl]piperidin-1-yl]ethanone;6-methoxy-4-[(2-methyl-1H-inden-5-yl)oxy]-7-(piperidin-4-ylmethoxy)quinazoline
CID 123382253
tert-butyl 4-(6-ethoxy-7-methoxyquinazolin-4-yl)piperazine-1-carboxylate
CID 11429163
6-[6-methoxy-7-[(1-methylpiperidin-4-yl)methoxy]quinazolin-4-yl]oxy-4H-1,4-benzoxazin-3-one
CID 22030579
tert-butyl 4-(5-methoxy-1H-indol-3-yl)piperidine-1-carboxylate
CID 45480277
2-methoxy-4-[[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]methoxy]benzoic acid
CID 22914678
6-methoxy-7-[2-[1-(1-methoxyethyl)piperidin-4-yl]ethoxy]-4-[(2-methyl-1H-indol-5-yl)oxy]quinazoline
CID 57218113

Frequently Asked Questions

What is the IUPAC name of tert-butyl 4-[[6-methoxy-4-[(3-methyl-1H-indol-5-yl)oxy]quinazolin-7-yl]oxymethyl]piperidine-1-carboxylate?
The IUPAC name of tert-butyl 4-[[6-methoxy-4-[(3-methyl-1H-indol-5-yl)oxy]quinazolin-7-yl]oxymethyl]piperidine-1-carboxylate (CID 22030599) is tert-butyl 4-[[6-methoxy-4-[(3-methyl-1H-indol-5-yl)oxy]quinazolin-7-yl]oxymethyl]piperidine-1-carboxylate.
What is the SMILES notation for tert-butyl 4-[[6-methoxy-4-[(3-methyl-1H-indol-5-yl)oxy]quinazolin-7-yl]oxymethyl]piperidine-1-carboxylate?
The canonical SMILES for tert-butyl 4-[[6-methoxy-4-[(3-methyl-1H-indol-5-yl)oxy]quinazolin-7-yl]oxymethyl]piperidine-1-carboxylate is COc1cc2c(Oc3ccc4[nH]cc(C)c4c3)ncnc2cc1OCC1CCN(C(=O)OC(C)(C)C)CC1.
What is the InChIKey of tert-butyl 4-[[6-methoxy-4-[(3-methyl-1H-indol-5-yl)oxy]quinazolin-7-yl]oxymethyl]piperidine-1-carboxylate?
The InChIKey is MLHDCOMEKHHELM-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H34N4O5/c1-18-15-30-23-7-6-20(12-21(18)23)37-27-22-13-25(35-5)26(14-24(22)31-17-32-27)36-16-19-8-10-33(11-9-19)28(34)38-29(2,3)4/h6-7,12-15,17,19,30H,8-11,16H2,1-5H3.
What are the key properties of tert-butyl 4-[[6-methoxy-4-[(3-methyl-1H-indol-5-yl)oxy]quinazolin-7-yl]oxymethyl]piperidine-1-carboxylate?
tert-butyl 4-[[6-methoxy-4-[(3-methyl-1H-indol-5-yl)oxy]quinazolin-7-yl]oxymethyl]piperidine-1-carboxylate has a molecular weight of 518.61 g/mol, XLogP of 6.25, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 4-[[6-methoxy-4-[(3-methyl-1H-indol-5-yl)oxy]quinazolin-7-yl]oxymethyl]piperidine-1-carboxylate is sourced from PubChem (CID 22030599), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).