1-[4-[2-[6-methoxy-4-(2-methylindol-1-yl)oxyquinazolin-7-yl]oxyethyl]piperazin-1-yl]propan-2-one

C27H31N5O4 — CID 91206949

IUPAC1-[4-[2-[6-methoxy-4-(2-methylindol-1-yl)oxyquinazolin-7-yl]oxyethyl]piperazin-1-yl]propan-2-one
SMILESCOc1cc2c(On3c(C)cc4ccccc43)ncnc2cc1OCCN1CCN(CC(C)=O)CC1
InChIInChI=1S/C27H31N5O4/c1-19-14-21-6-4-5-7-24(21)32(19)36-27-22-15-25(34-3)26(16-23(22)28-18-29-27)35-13-12-30-8-10-31(11-9-30)17-20(2)33/h4-7,14-16,18H,8-13,17H2,1-3H3
InChIKeyXYLMWJMZFNFZEM-UHFFFAOYSA-N
MW489.58 g/mol
LogP3.33
Rot. Bonds9

About 1-[4-[2-[6-methoxy-4-(2-methylindol-1-yl)oxyquinazolin-7-yl]oxyethyl]piperazin-1-yl]propan-2-one

1-[4-[2-[6-methoxy-4-(2-methylindol-1-yl)oxyquinazolin-7-yl]oxyethyl]piperazin-1-yl]propan-2-one (PubChem CID 91206949) has the molecular formula C27H31N5O4 and a molecular weight of 489.58 g/mol. Its IUPAC name is 1-[4-[2-[6-methoxy-4-(2-methylindol-1-yl)oxyquinazolin-7-yl]oxyethyl]piperazin-1-yl]propan-2-one.

Molecular Properties

Compound Name1-[4-[2-[6-methoxy-4-(2-methylindol-1-yl)oxyquinazolin-7-yl]oxyethyl]piperazin-1-yl]propan-2-one
PubChem CID91206949
Molecular FormulaC27H31N5O4
Molecular Weight489.58 g/mol
Exact Mass489.24
IUPAC Name1-[4-[2-[6-methoxy-4-(2-methylindol-1-yl)oxyquinazolin-7-yl]oxyethyl]piperazin-1-yl]propan-2-one
SMILESCOc1cc2c(On3c(C)cc4ccccc43)ncnc2cc1OCCN1CCN(CC(C)=O)CC1
InChIInChI=1S/C27H31N5O4/c1-19-14-21-6-4-5-7-24(21)32(19)36-27-22-15-25(34-3)26(16-23(22)28-18-29-27)35-13-12-30-8-10-31(11-9-30)17-20(2)33/h4-7,14-16,18H,8-13,17H2,1-3H3
InChIKeyXYLMWJMZFNFZEM-UHFFFAOYSA-N
XLogP3.33
TPSA81.95 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds9
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500489.58
LogP ≤ 53.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

Analyze 1-[4-[2-[6-methoxy-4-(2-methylindol-1-yl)oxyquinazolin-7-yl]oxyethyl]piperazin-1-yl]propan-2-one with MolForge

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Related Compounds

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PQ-10
CID 11955614
6,7-Dimethoxy-4-[(3R)-3-(2-naphthyloxy)pyrrolidin-1-YL]quinazoline
CID 15991588
2-(1H-imidazol-1-yl)-9-methoxy-8-(2-methoxyethoxy)benzo[c][2,7]naphthyridin-4-amine
CID 44176356
6-methoxy-N-(3-methoxyphenyl)-7-(3-morpholin-4-ylpropoxy)quinazolin-4-amine
CID 5330170
6-methoxy-N-(2-methoxyphenyl)-7-(3-morpholin-4-ylpropoxy)quinazolin-4-amine
CID 5330171
6-methoxy-N-(4-methoxyphenyl)-7-(3-morpholin-4-ylpropoxy)quinazolin-4-amine
CID 5330172
N-(1H-indol-7-yl)-6-methoxy-7-(3-morpholin-4-ylpropoxy)quinazolin-4-amine
CID 5330185
N-(1,3-benzodioxol-4-yl)-6-methoxy-7-(3-morpholin-4-ylpropoxy)quinazolin-4-amine
CID 5330187
N-(2,2-difluoro-1,3-benzodioxol-4-yl)-6-methoxy-7-(3-morpholin-4-ylpropoxy)quinazolin-4-amine
CID 5330191
N-(1,3-benzodioxol-5-yl)-6-methoxy-7-(3-morpholin-4-ylpropoxy)quinazolin-4-amine
CID 5330192
6-Methoxy-7-[2-(Quinolin-2-Yl)ethoxy]quinazoline
CID 24945787

Frequently Asked Questions

What is the IUPAC name of 1-[4-[2-[6-methoxy-4-(2-methylindol-1-yl)oxyquinazolin-7-yl]oxyethyl]piperazin-1-yl]propan-2-one?
The IUPAC name of 1-[4-[2-[6-methoxy-4-(2-methylindol-1-yl)oxyquinazolin-7-yl]oxyethyl]piperazin-1-yl]propan-2-one (CID 91206949) is 1-[4-[2-[6-methoxy-4-(2-methylindol-1-yl)oxyquinazolin-7-yl]oxyethyl]piperazin-1-yl]propan-2-one.
What is the SMILES notation for 1-[4-[2-[6-methoxy-4-(2-methylindol-1-yl)oxyquinazolin-7-yl]oxyethyl]piperazin-1-yl]propan-2-one?
The canonical SMILES for 1-[4-[2-[6-methoxy-4-(2-methylindol-1-yl)oxyquinazolin-7-yl]oxyethyl]piperazin-1-yl]propan-2-one is COc1cc2c(On3c(C)cc4ccccc43)ncnc2cc1OCCN1CCN(CC(C)=O)CC1.
What is the InChIKey of 1-[4-[2-[6-methoxy-4-(2-methylindol-1-yl)oxyquinazolin-7-yl]oxyethyl]piperazin-1-yl]propan-2-one?
The InChIKey is XYLMWJMZFNFZEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H31N5O4/c1-19-14-21-6-4-5-7-24(21)32(19)36-27-22-15-25(34-3)26(16-23(22)28-18-29-27)35-13-12-30-8-10-31(11-9-30)17-20(2)33/h4-7,14-16,18H,8-13,17H2,1-3H3.
What are the key properties of 1-[4-[2-[6-methoxy-4-(2-methylindol-1-yl)oxyquinazolin-7-yl]oxyethyl]piperazin-1-yl]propan-2-one?
1-[4-[2-[6-methoxy-4-(2-methylindol-1-yl)oxyquinazolin-7-yl]oxyethyl]piperazin-1-yl]propan-2-one has a molecular weight of 489.58 g/mol, XLogP of 3.33, 9 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[2-[6-methoxy-4-(2-methylindol-1-yl)oxyquinazolin-7-yl]oxyethyl]piperazin-1-yl]propan-2-one is sourced from PubChem (CID 91206949), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).