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

C51H56N8O8 — CID 161264566

IUPACtert-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
SMILESCOc1cc2c(Oc3ccc4cc(C)[nH]c4c3)ncnc2cc1OC1CCN(C(=O)OC(C)(C)C)CC1.COc1cc2c(Oc3ccc4cc(C)[nH]c4c3)ncnc2cc1OC1CCNCC1
InChIInChI=1S/C28H32N4O5.C23H24N4O3/c1-17-12-18-6-7-20(13-22(18)31-17)36-26-21-14-24(34-5)25(15-23(21)29-16-30-26)35-19-8-10-32(11-9-19)27(33)37-28(2,3)4;1-14-9-15-3-4-17(10-19(15)27-14)30-23-18-11-21(28-2)22(12-20(18)25-13-26-23)29-16-5-7-24-8-6-16/h6-7,12-16,19,31H,8-11H2,1-5H3;3-4,9-13,16,24,27H,5-8H2,1-2H3
InChIKeyVCZRRKJBJUUCNX-UHFFFAOYSA-N
MW909.06 g/mol
LogP10.35
Rot. Bonds10

About 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

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 (PubChem CID 161264566) has the molecular formula C51H56N8O8 and a molecular weight of 909.06 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Nametert-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
PubChem CID161264566
Molecular FormulaC51H56N8O8
Molecular Weight909.06 g/mol
Exact Mass908.42
IUPAC Nametert-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
SMILESCOc1cc2c(Oc3ccc4cc(C)[nH]c4c3)ncnc2cc1OC1CCN(C(=O)OC(C)(C)C)CC1.COc1cc2c(Oc3ccc4cc(C)[nH]c4c3)ncnc2cc1OC1CCNCC1
InChIInChI=1S/C28H32N4O5.C23H24N4O3/c1-17-12-18-6-7-20(13-22(18)31-17)36-26-21-14-24(34-5)25(15-23(21)29-16-30-26)35-19-8-10-32(11-9-19)27(33)37-28(2,3)4;1-14-9-15-3-4-17(10-19(15)27-14)30-23-18-11-21(28-2)22(12-20(18)25-13-26-23)29-16-5-7-24-8-6-16/h6-7,12-16,19,31H,8-11H2,1-5H3;3-4,9-13,16,24,27H,5-8H2,1-2H3
InChIKeyVCZRRKJBJUUCNX-UHFFFAOYSA-N
XLogP10.35
TPSA180.09 Ų
H-Bond Donors3
H-Bond Acceptors13
Rotatable Bonds10
Heavy Atoms67
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500909.06
LogP ≤ 510.35
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1013

Analyze 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 with MolForge

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Launch Full Analysis

Related Compounds

tert-butyl 2-[6-methoxy-4-[(2-methyl-1H-indol-5-yl)oxy]quinazolin-7-yl]oxy-2-piperidin-4-ylacetate
CID 70206226
tert-butyl 4-[[6-methoxy-4-[(3-methyl-1H-indol-5-yl)oxy]quinazolin-7-yl]oxymethyl]piperidine-1-carboxylate
CID 22030599
tert-butyl (3R)-3-[4-[3-[(5-tert-butyl-1,2-oxazol-3-yl)carbamoylamino]phenoxy]-6-methoxyquinazolin-7-yl]oxypyrrolidine-1-carboxylate
CID 66877259
6-methoxy-7-[2-[1-(1-methoxyethyl)piperidin-4-yl]ethoxy]-4-[(2-methyl-1H-indol-5-yl)oxy]quinazoline
CID 57218113
[7-methoxy-4-[(2-methyl-1H-indol-5-yl)oxy]quinazolin-6-yl] 5-methyl-2,5-diazabicyclo[2.2.1]heptane-2-carboxylate
CID 146508405
tert-butyl 4-(4-chloro-3-cyclopentyloxyphenoxy)piperidine-1-carboxylate;4-(4-chloro-3-cyclopentyloxyphenoxy)piperidine
CID 159437456
methyl 6-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]oxy-1H-indole-2-carboxylate
CID 53487119
6-methoxy-4-[(2-methyl-1H-indol-5-yl)oxy]-7-(3-piperidin-1-ylpropoxy)quinazoline
CID 22030540
tert-butyl 3-[5-[[2-[4-(6,7-dimethoxyquinazolin-4-yl)oxypyrazol-1-yl]acetyl]amino]-2-methoxyphenoxy]azetidine-1-carboxylate
CID 69077108
(E)-3-[6-methoxy-4-[(2-methyl-1H-indol-5-yl)oxy]quinazolin-7-yl]prop-2-enoic acid
CID 22030623
tert-butyl 4-[[4-oxo-7-(trideuteriomethoxy)-3H-quinazolin-6-yl]oxy]piperidine-1-carboxylate
CID 172784029
1-O-tert-butyl 2-O-methyl 4-(7-methoxy-4-methylquinazolin-6-yl)oxypiperidine-1,2-dicarboxylate
CID 58318676

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is COc1cc2c(Oc3ccc4cc(C)[nH]c4c3)ncnc2cc1OC1CCN(C(=O)OC(C)(C)C)CC1.COc1cc2c(Oc3ccc4cc(C)[nH]c4c3)ncnc2cc1OC1CCNCC1.
What is the InChIKey of 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?
The InChIKey is VCZRRKJBJUUCNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H32N4O5.C23H24N4O3/c1-17-12-18-6-7-20(13-22(18)31-17)36-26-21-14-24(34-5)25(15-23(21)29-16-30-26)35-19-8-10-32(11-9-19)27(33)37-28(2,3)4;1-14-9-15-3-4-17(10-19(15)27-14)30-23-18-11-21(28-2)22(12-20(18)25-13-26-23)29-16-5-7-24-8-6-16/h6-7,12-16,19,31H,8-11H2,1-5H3;3-4,9-13,16,24,27H,5-8H2,1-2H3.
What are the key properties of 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?
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 has a molecular weight of 909.06 g/mol, XLogP of 10.35, 10 rotatable bonds, 3 hydrogen bond donors, and 13 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 161264566), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).