[7-methoxy-4-[(2-methyl-1H-indol-5-yl)oxy]quinazolin-6-yl] 5-methyl-2,5-diazabicyclo[2.2.1]heptane-2-carboxylate

C25H25N5O4 — CID 146508405

IUPAC[7-methoxy-4-[(2-methyl-1H-indol-5-yl)oxy]quinazolin-6-yl] 5-methyl-2,5-diazabicyclo[2.2.1]heptane-2-carboxylate
SMILESCOc1cc2ncnc(Oc3ccc4[nH]c(C)cc4c3)c2cc1OC(=O)N1CC2CC1CN2C
InChIInChI=1S/C25H25N5O4/c1-14-6-15-7-18(4-5-20(15)28-14)33-24-19-9-23(22(32-3)10-21(19)26-13-27-24)34-25(31)30-12-16-8-17(30)11-29(16)2/h4-7,9-10,13,16-17,28H,8,11-12H2,1-3H3
InChIKeyQBXFLEQZBPVDLY-UHFFFAOYSA-N
MW459.51 g/mol
LogP4.11
Rot. Bonds4

About [7-methoxy-4-[(2-methyl-1H-indol-5-yl)oxy]quinazolin-6-yl] 5-methyl-2,5-diazabicyclo[2.2.1]heptane-2-carboxylate

[7-methoxy-4-[(2-methyl-1H-indol-5-yl)oxy]quinazolin-6-yl] 5-methyl-2,5-diazabicyclo[2.2.1]heptane-2-carboxylate (PubChem CID 146508405) has the molecular formula C25H25N5O4 and a molecular weight of 459.51 g/mol. Its IUPAC name is [7-methoxy-4-[(2-methyl-1H-indol-5-yl)oxy]quinazolin-6-yl] 5-methyl-2,5-diazabicyclo[2.2.1]heptane-2-carboxylate.

Molecular Properties

Compound Name[7-methoxy-4-[(2-methyl-1H-indol-5-yl)oxy]quinazolin-6-yl] 5-methyl-2,5-diazabicyclo[2.2.1]heptane-2-carboxylate
PubChem CID146508405
Molecular FormulaC25H25N5O4
Molecular Weight459.51 g/mol
Exact Mass459.19
IUPAC Name[7-methoxy-4-[(2-methyl-1H-indol-5-yl)oxy]quinazolin-6-yl] 5-methyl-2,5-diazabicyclo[2.2.1]heptane-2-carboxylate
SMILESCOc1cc2ncnc(Oc3ccc4[nH]c(C)cc4c3)c2cc1OC(=O)N1CC2CC1CN2C
InChIInChI=1S/C25H25N5O4/c1-14-6-15-7-18(4-5-20(15)28-14)33-24-19-9-23(22(32-3)10-21(19)26-13-27-24)34-25(31)30-12-16-8-17(30)11-29(16)2/h4-7,9-10,13,16-17,28H,8,11-12H2,1-3H3
InChIKeyQBXFLEQZBPVDLY-UHFFFAOYSA-N
XLogP4.11
TPSA92.81 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500459.51
LogP ≤ 54.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze [7-methoxy-4-[(2-methyl-1H-indol-5-yl)oxy]quinazolin-6-yl] 5-methyl-2,5-diazabicyclo[2.2.1]heptane-2-carboxylate with MolForge

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Related Compounds

6-methoxy-4-[(2-methyl-1H-indol-5-yl)oxy]-7-(3-piperidin-1-ylpropoxy)quinazoline
CID 22030540
(E)-3-[6-methoxy-4-[(2-methyl-1H-indol-5-yl)oxy]quinazolin-7-yl]prop-2-enoic acid
CID 22030623
tert-butyl 2-[6-methoxy-4-[(2-methyl-1H-indol-5-yl)oxy]quinazolin-7-yl]oxy-2-piperidin-4-ylacetate
CID 70206226
6-methoxy-7-[2-[1-(1-methoxyethyl)piperidin-4-yl]ethoxy]-4-[(2-methyl-1H-indol-5-yl)oxy]quinazoline
CID 57218113
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
[1-[[6-methoxy-4-[(2-methyl-1H-indol-5-yl)oxy]quinolin-7-yl]oxymethyl]cyclopropyl]carbamic acid
CID 90910783
[6-methoxy-4-[4-[2-[1-[2-(4-methylphenyl)acetyl]cyclopropyl]-2-oxoethyl]phenoxy]quinazolin-7-yl] (2R)-2-methylpiperazine-1-carboxylate
CID 158956270
[4-[4-[[1-[(4-fluorophenyl)carbamoyl]cyclopropanecarbonyl]amino]phenoxy]-6-methoxyquinazolin-7-yl] (2R)-2,4-dimethylpiperazine-1-carboxylate
CID 142610249
[4-[(4-fluoro-2-methyl-1H-indol-5-yl)oxy]-7-hydroxyquinazolin-6-yl] (2R)-2,4-dimethylpiperazine-1-carboxylate
CID 151563575
6-methoxy-7-(3-pyrrolidin-1-ylpropoxy)-4-[[2-(trifluoromethyl)-1H-indol-5-yl]oxy]quinazoline
CID 22030572
(2S)-2-[[4-[(4-fluoro-2-methyl-1H-indol-5-yl)oxy]-6-methoxyquinazolin-7-yl]oxymethyl]pyrrolidine-1-carboxylic acid
CID 68840024
4-[(6-fluoro-2-methyl-1H-indol-5-yl)oxy]-6-methoxy-7-(3-pyrrolidin-1-ylpropoxy)quinazoline
CID 22030798

Frequently Asked Questions

What is the IUPAC name of [7-methoxy-4-[(2-methyl-1H-indol-5-yl)oxy]quinazolin-6-yl] 5-methyl-2,5-diazabicyclo[2.2.1]heptane-2-carboxylate?
The IUPAC name of [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) is [7-methoxy-4-[(2-methyl-1H-indol-5-yl)oxy]quinazolin-6-yl] 5-methyl-2,5-diazabicyclo[2.2.1]heptane-2-carboxylate.
What is the SMILES notation for [7-methoxy-4-[(2-methyl-1H-indol-5-yl)oxy]quinazolin-6-yl] 5-methyl-2,5-diazabicyclo[2.2.1]heptane-2-carboxylate?
The canonical SMILES for [7-methoxy-4-[(2-methyl-1H-indol-5-yl)oxy]quinazolin-6-yl] 5-methyl-2,5-diazabicyclo[2.2.1]heptane-2-carboxylate is COc1cc2ncnc(Oc3ccc4[nH]c(C)cc4c3)c2cc1OC(=O)N1CC2CC1CN2C.
What is the InChIKey of [7-methoxy-4-[(2-methyl-1H-indol-5-yl)oxy]quinazolin-6-yl] 5-methyl-2,5-diazabicyclo[2.2.1]heptane-2-carboxylate?
The InChIKey is QBXFLEQZBPVDLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H25N5O4/c1-14-6-15-7-18(4-5-20(15)28-14)33-24-19-9-23(22(32-3)10-21(19)26-13-27-24)34-25(31)30-12-16-8-17(30)11-29(16)2/h4-7,9-10,13,16-17,28H,8,11-12H2,1-3H3.
What are the key properties of [7-methoxy-4-[(2-methyl-1H-indol-5-yl)oxy]quinazolin-6-yl] 5-methyl-2,5-diazabicyclo[2.2.1]heptane-2-carboxylate?
[7-methoxy-4-[(2-methyl-1H-indol-5-yl)oxy]quinazolin-6-yl] 5-methyl-2,5-diazabicyclo[2.2.1]heptane-2-carboxylate has a molecular weight of 459.51 g/mol, XLogP of 4.11, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [7-methoxy-4-[(2-methyl-1H-indol-5-yl)oxy]quinazolin-6-yl] 5-methyl-2,5-diazabicyclo[2.2.1]heptane-2-carboxylate is sourced from PubChem (CID 146508405), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).