4-(1H-indol-5-yloxy)-6-methoxy-7-[3-(4-methylpiperazin-1-yl)propoxy]quinazoline

C25H29N5O3 — CID 22030853

IUPAC4-(1H-indol-5-yloxy)-6-methoxy-7-[3-(4-methylpiperazin-1-yl)propoxy]quinazoline
SMILESCOc1cc2c(Oc3ccc4[nH]ccc4c3)ncnc2cc1OCCCN1CCN(C)CC1
InChIInChI=1S/C25H29N5O3/c1-29-9-11-30(12-10-29)8-3-13-32-24-16-22-20(15-23(24)31-2)25(28-17-27-22)33-19-4-5-21-18(14-19)6-7-26-21/h4-7,14-17,26H,3,8-13H2,1-2H3
InChIKeyZUBGMFNKGKIXHO-UHFFFAOYSA-N
MW447.54 g/mol
LogP3.93
Rot. Bonds8

About 4-(1H-indol-5-yloxy)-6-methoxy-7-[3-(4-methylpiperazin-1-yl)propoxy]quinazoline

4-(1H-indol-5-yloxy)-6-methoxy-7-[3-(4-methylpiperazin-1-yl)propoxy]quinazoline (PubChem CID 22030853) has the molecular formula C25H29N5O3 and a molecular weight of 447.54 g/mol. Its IUPAC name is 4-(1H-indol-5-yloxy)-6-methoxy-7-[3-(4-methylpiperazin-1-yl)propoxy]quinazoline.

Molecular Properties

Compound Name4-(1H-indol-5-yloxy)-6-methoxy-7-[3-(4-methylpiperazin-1-yl)propoxy]quinazoline
PubChem CID22030853
Molecular FormulaC25H29N5O3
Molecular Weight447.54 g/mol
Exact Mass447.23
IUPAC Name4-(1H-indol-5-yloxy)-6-methoxy-7-[3-(4-methylpiperazin-1-yl)propoxy]quinazoline
SMILESCOc1cc2c(Oc3ccc4[nH]ccc4c3)ncnc2cc1OCCCN1CCN(C)CC1
InChIInChI=1S/C25H29N5O3/c1-29-9-11-30(12-10-29)8-3-13-32-24-16-22-20(15-23(24)31-2)25(28-17-27-22)33-19-4-5-21-18(14-19)6-7-26-21/h4-7,14-17,26H,3,8-13H2,1-2H3
InChIKeyZUBGMFNKGKIXHO-UHFFFAOYSA-N
XLogP3.93
TPSA75.74 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500447.54
LogP ≤ 53.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

4-[(6-fluoro-1H-indol-5-yl)oxy]-6-methoxy-7-[3-(4-methylpiperazin-1-yl)propoxy]quinazoline
CID 22030676
N-(1H-indol-5-yl)-6-methoxy-7-[3-(4-methylpiperazin-1-yl)propoxy]quinazolin-4-amine
CID 22030671
6-methoxy-4-[(2-methyl-1H-indol-5-yl)oxy]-7-(3-piperidin-1-ylpropoxy)quinazoline
CID 22030540
6-methoxy-7-(3-pyrrolidin-1-ylpropoxy)-4-[[2-(trifluoromethyl)-1H-indol-5-yl]oxy]quinazoline
CID 22030572
6-methoxy-7-(3-piperidin-1-ylpropoxy)-4-[[6-(trifluoromethyl)-1H-indol-5-yl]oxy]quinazoline
CID 22030800
7-methoxy-4-(1H-pyrazol-4-yloxy)-6-(3-pyrrolidin-1-ylpropoxy)quinazoline
CID 154458074
4-[3-[4-(1,2-dimethylindol-5-yl)oxy-6-methoxyquinazolin-7-yl]oxypropyl]morpholine
CID 22030747
6-[6-methoxy-7-(3-piperidin-1-ylpropoxy)quinazolin-4-yl]oxynaphthalene-1-carboxylic acid
CID 67520430
4-[(5-chloro-1,3-benzodioxol-4-yl)oxy]-6-methoxy-7-[3-(4-methylpiperazin-1-yl)propoxy]quinazoline
CID 10163244
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
6-methoxy-4-[[5-(4-methoxyphenyl)-1H-pyrazol-3-yl]oxy]-7-[3-(4-methylpiperidin-1-yl)propoxy]quinazoline
CID 69488590
N-(1H-indol-6-yl)-6-methoxy-7-(3-morpholin-4-ylpropoxy)quinazolin-4-amine
CID 22030892

Frequently Asked Questions

What is the IUPAC name of 4-(1H-indol-5-yloxy)-6-methoxy-7-[3-(4-methylpiperazin-1-yl)propoxy]quinazoline?
The IUPAC name of 4-(1H-indol-5-yloxy)-6-methoxy-7-[3-(4-methylpiperazin-1-yl)propoxy]quinazoline (CID 22030853) is 4-(1H-indol-5-yloxy)-6-methoxy-7-[3-(4-methylpiperazin-1-yl)propoxy]quinazoline.
What is the SMILES notation for 4-(1H-indol-5-yloxy)-6-methoxy-7-[3-(4-methylpiperazin-1-yl)propoxy]quinazoline?
The canonical SMILES for 4-(1H-indol-5-yloxy)-6-methoxy-7-[3-(4-methylpiperazin-1-yl)propoxy]quinazoline is COc1cc2c(Oc3ccc4[nH]ccc4c3)ncnc2cc1OCCCN1CCN(C)CC1.
What is the InChIKey of 4-(1H-indol-5-yloxy)-6-methoxy-7-[3-(4-methylpiperazin-1-yl)propoxy]quinazoline?
The InChIKey is ZUBGMFNKGKIXHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H29N5O3/c1-29-9-11-30(12-10-29)8-3-13-32-24-16-22-20(15-23(24)31-2)25(28-17-27-22)33-19-4-5-21-18(14-19)6-7-26-21/h4-7,14-17,26H,3,8-13H2,1-2H3.
What are the key properties of 4-(1H-indol-5-yloxy)-6-methoxy-7-[3-(4-methylpiperazin-1-yl)propoxy]quinazoline?
4-(1H-indol-5-yloxy)-6-methoxy-7-[3-(4-methylpiperazin-1-yl)propoxy]quinazoline has a molecular weight of 447.54 g/mol, XLogP of 3.93, 8 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1H-indol-5-yloxy)-6-methoxy-7-[3-(4-methylpiperazin-1-yl)propoxy]quinazoline is sourced from PubChem (CID 22030853), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).