4-(1H-indol-5-yloxy)-6-methoxy-7-(3-piperidin-1-ylpropoxy)quinazoline;6-methoxy-7-[[1-(2-methoxyethyl)piperidin-4-yl]methoxy]-4-[(2-methyl-1H-indol-5-yl)oxy]quinazoline

C52H60N8O7 — CID 23080668

IUPAC4-(1H-indol-5-yloxy)-6-methoxy-7-(3-piperidin-1-ylpropoxy)quinazoline;6-methoxy-7-[[1-(2-methoxyethyl)piperidin-4-yl]methoxy]-4-[(2-methyl-1H-indol-5-yl)oxy]quinazoline
SMILESCOCCN1CCC(COc2cc3ncnc(Oc4ccc5[nH]c(C)cc5c4)c3cc2OC)CC1.COc1cc2c(Oc3ccc4[nH]ccc4c3)ncnc2cc1OCCCN1CCCCC1
InChIInChI=1S/C27H32N4O4.C25H28N4O3/c1-18-12-20-13-21(4-5-23(20)30-18)35-27-22-14-25(33-3)26(15-24(22)28-17-29-27)34-16-19-6-8-31(9-7-19)10-11-32-2;1-30-23-15-20-22(16-24(23)31-13-5-12-29-10-3-2-4-11-29)27-17-28-25(20)32-19-6-7-21-18(14-19)8-9-26-21/h4-5,12-15,17,19,30H,6-11,16H2,1-3H3;6-9,14-17,26H,2-5,10-13H2,1H3
InChIKeyBGNIKEMAKQPOIR-UHFFFAOYSA-N
MW909.10 g/mol
LogP10.12
Rot. Bonds17

About 4-(1H-indol-5-yloxy)-6-methoxy-7-(3-piperidin-1-ylpropoxy)quinazoline;6-methoxy-7-[[1-(2-methoxyethyl)piperidin-4-yl]methoxy]-4-[(2-methyl-1H-indol-5-yl)oxy]quinazoline

4-(1H-indol-5-yloxy)-6-methoxy-7-(3-piperidin-1-ylpropoxy)quinazoline;6-methoxy-7-[[1-(2-methoxyethyl)piperidin-4-yl]methoxy]-4-[(2-methyl-1H-indol-5-yl)oxy]quinazoline (PubChem CID 23080668) has the molecular formula C52H60N8O7 and a molecular weight of 909.10 g/mol. Its IUPAC name is 4-(1H-indol-5-yloxy)-6-methoxy-7-(3-piperidin-1-ylpropoxy)quinazoline;6-methoxy-7-[[1-(2-methoxyethyl)piperidin-4-yl]methoxy]-4-[(2-methyl-1H-indol-5-yl)oxy]quinazoline.

Molecular Properties

Compound Name4-(1H-indol-5-yloxy)-6-methoxy-7-(3-piperidin-1-ylpropoxy)quinazoline;6-methoxy-7-[[1-(2-methoxyethyl)piperidin-4-yl]methoxy]-4-[(2-methyl-1H-indol-5-yl)oxy]quinazoline
PubChem CID23080668
Molecular FormulaC52H60N8O7
Molecular Weight909.10 g/mol
Exact Mass908.46
IUPAC Name4-(1H-indol-5-yloxy)-6-methoxy-7-(3-piperidin-1-ylpropoxy)quinazoline;6-methoxy-7-[[1-(2-methoxyethyl)piperidin-4-yl]methoxy]-4-[(2-methyl-1H-indol-5-yl)oxy]quinazoline
SMILESCOCCN1CCC(COc2cc3ncnc(Oc4ccc5[nH]c(C)cc5c4)c3cc2OC)CC1.COc1cc2c(Oc3ccc4[nH]ccc4c3)ncnc2cc1OCCCN1CCCCC1
InChIInChI=1S/C27H32N4O4.C25H28N4O3/c1-18-12-20-13-21(4-5-23(20)30-18)35-27-22-14-25(33-3)26(15-24(22)28-17-29-27)34-16-19-6-8-31(9-7-19)10-11-32-2;1-30-23-15-20-22(16-24(23)31-13-5-12-29-10-3-2-4-11-29)27-17-28-25(20)32-19-6-7-21-18(14-19)8-9-26-21/h4-5,12-15,17,19,30H,6-11,16H2,1-3H3;6-9,14-17,26H,2-5,10-13H2,1H3
InChIKeyBGNIKEMAKQPOIR-UHFFFAOYSA-N
XLogP10.12
TPSA154.23 Ų
H-Bond Donors2
H-Bond Acceptors13
Rotatable Bonds17
Heavy Atoms67
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500909.10
LogP ≤ 510.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1013

Computed Properties (RDKit)

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

Analyze 4-(1H-indol-5-yloxy)-6-methoxy-7-(3-piperidin-1-ylpropoxy)quinazoline;6-methoxy-7-[[1-(2-methoxyethyl)piperidin-4-yl]methoxy]-4-[(2-methyl-1H-indol-5-yl)oxy]quinazoline with MolForge

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Related Compounds

Cediranib
CID 9933475
N-(1H-indol-7-yl)-6-methoxy-7-(3-morpholin-4-ylpropoxy)quinazolin-4-amine
CID 5330185
4-[6,7-bis(2-methoxyethoxy)quinazolin-4-yl]-N-[4-(1H-indol-4-yloxy)phenyl]piperazine-1-carboxamide
CID 10121709
N-(1H-indol-4-yl)-6-methoxy-7-(3-morpholin-4-ylpropoxy)quinazolin-4-amine
CID 5330183
Indole deriv. 15
CID 5330184
6,7-dimethoxy-4-[(3R)-3-[(2-methylquinolin-6-yl)oxy]pyrrolidin-1-yl]quinazoline
CID 16102606
4-[(3R)-3-(isoquinolin-3-yloxy)pyrrolidin-1-yl]-6,7-dimethoxyquinazoline
CID 16102607
6,7-dimethoxy-4-[(3R)-3-(quinolin-6-yloxy)pyrrolidin-1-yl]quinazoline
CID 16102629
6,7-dimethoxy-4-[(3R)-3-(quinolin-7-yloxy)pyrrolidin-1-yl]quinazoline
CID 16102630
N-[2-(3-cyclopentylpropoxy)pyrimidin-5-yl]-6-methoxy-7-(3-piperidin-1-ylpropoxy)quinazolin-4-amine
CID 162644019
4-[6,7-bis(2-methoxyethoxy)quinazolin-4-yl]-N-[4-(2,3-dihydro-1H-indol-4-yloxy)phenyl]piperazine-1-carboxamide
CID 10121737
4-[7-(2-Methoxy-ethoxy)-quinazolin-4-yl]-piperazine-1-carboxylic acid [4-(1H-indol-5-yloxy)-phenyl]-amide
CID 10165712

Frequently Asked Questions

What is the IUPAC name of 4-(1H-indol-5-yloxy)-6-methoxy-7-(3-piperidin-1-ylpropoxy)quinazoline;6-methoxy-7-[[1-(2-methoxyethyl)piperidin-4-yl]methoxy]-4-[(2-methyl-1H-indol-5-yl)oxy]quinazoline?
The IUPAC name of 4-(1H-indol-5-yloxy)-6-methoxy-7-(3-piperidin-1-ylpropoxy)quinazoline;6-methoxy-7-[[1-(2-methoxyethyl)piperidin-4-yl]methoxy]-4-[(2-methyl-1H-indol-5-yl)oxy]quinazoline (CID 23080668) is 4-(1H-indol-5-yloxy)-6-methoxy-7-(3-piperidin-1-ylpropoxy)quinazoline;6-methoxy-7-[[1-(2-methoxyethyl)piperidin-4-yl]methoxy]-4-[(2-methyl-1H-indol-5-yl)oxy]quinazoline.
What is the SMILES notation for 4-(1H-indol-5-yloxy)-6-methoxy-7-(3-piperidin-1-ylpropoxy)quinazoline;6-methoxy-7-[[1-(2-methoxyethyl)piperidin-4-yl]methoxy]-4-[(2-methyl-1H-indol-5-yl)oxy]quinazoline?
The canonical SMILES for 4-(1H-indol-5-yloxy)-6-methoxy-7-(3-piperidin-1-ylpropoxy)quinazoline;6-methoxy-7-[[1-(2-methoxyethyl)piperidin-4-yl]methoxy]-4-[(2-methyl-1H-indol-5-yl)oxy]quinazoline is COCCN1CCC(COc2cc3ncnc(Oc4ccc5[nH]c(C)cc5c4)c3cc2OC)CC1.COc1cc2c(Oc3ccc4[nH]ccc4c3)ncnc2cc1OCCCN1CCCCC1.
What is the InChIKey of 4-(1H-indol-5-yloxy)-6-methoxy-7-(3-piperidin-1-ylpropoxy)quinazoline;6-methoxy-7-[[1-(2-methoxyethyl)piperidin-4-yl]methoxy]-4-[(2-methyl-1H-indol-5-yl)oxy]quinazoline?
The InChIKey is BGNIKEMAKQPOIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H32N4O4.C25H28N4O3/c1-18-12-20-13-21(4-5-23(20)30-18)35-27-22-14-25(33-3)26(15-24(22)28-17-29-27)34-16-19-6-8-31(9-7-19)10-11-32-2;1-30-23-15-20-22(16-24(23)31-13-5-12-29-10-3-2-4-11-29)27-17-28-25(20)32-19-6-7-21-18(14-19)8-9-26-21/h4-5,12-15,17,19,30H,6-11,16H2,1-3H3;6-9,14-17,26H,2-5,10-13H2,1H3.
What are the key properties of 4-(1H-indol-5-yloxy)-6-methoxy-7-(3-piperidin-1-ylpropoxy)quinazoline;6-methoxy-7-[[1-(2-methoxyethyl)piperidin-4-yl]methoxy]-4-[(2-methyl-1H-indol-5-yl)oxy]quinazoline?
4-(1H-indol-5-yloxy)-6-methoxy-7-(3-piperidin-1-ylpropoxy)quinazoline;6-methoxy-7-[[1-(2-methoxyethyl)piperidin-4-yl]methoxy]-4-[(2-methyl-1H-indol-5-yl)oxy]quinazoline has a molecular weight of 909.10 g/mol, XLogP of 10.12, 17 rotatable bonds, 2 hydrogen bond donors, and 13 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1H-indol-5-yloxy)-6-methoxy-7-(3-piperidin-1-ylpropoxy)quinazoline;6-methoxy-7-[[1-(2-methoxyethyl)piperidin-4-yl]methoxy]-4-[(2-methyl-1H-indol-5-yl)oxy]quinazoline is sourced from PubChem (CID 23080668), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).