4-[(4-fluoro-2-methyl-1H-indol-5-yl)oxy]-6-methoxy-7-(3-piperazin-1-ylpropoxy)quinazoline;4-[(4-fluoro-2-methyl-1H-indol-5-yl)oxy]-6-methoxy-7-[3-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]propoxy]quinazoline

C52H57F5N10O6 — CID 158270789

IUPAC4-[(4-fluoro-2-methyl-1H-indol-5-yl)oxy]-6-methoxy-7-(3-piperazin-1-ylpropoxy)quinazoline;4-[(4-fluoro-2-methyl-1H-indol-5-yl)oxy]-6-methoxy-7-[3-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]propoxy]quinazoline
SMILESCOc1cc2c(Oc3ccc4[nH]c(C)cc4c3F)ncnc2cc1OCCCN1CCN(CC(F)(F)F)CC1.COc1cc2c(Oc3ccc4[nH]c(C)cc4c3F)ncnc2cc1OCCCN1CCNCC1
InChIInChI=1S/C27H29F4N5O3.C25H28FN5O3/c1-17-12-18-20(34-17)4-5-22(25(18)28)39-26-19-13-23(37-2)24(14-21(19)32-16-33-26)38-11-3-6-35-7-9-36(10-8-35)15-27(29,30)31;1-16-12-17-19(30-16)4-5-21(24(17)26)34-25-18-13-22(32-2)23(14-20(18)28-15-29-25)33-11-3-8-31-9-6-27-7-10-31/h4-5,12-14,16,34H,3,6-11,15H2,1-2H3;4-5,12-15,27,30H,3,6-11H2,1-2H3
InChIKeyGIZRHTASDVUQCV-UHFFFAOYSA-N
MW1013.08 g/mol
LogP9.34
Rot. Bonds17

About 4-[(4-fluoro-2-methyl-1H-indol-5-yl)oxy]-6-methoxy-7-(3-piperazin-1-ylpropoxy)quinazoline;4-[(4-fluoro-2-methyl-1H-indol-5-yl)oxy]-6-methoxy-7-[3-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]propoxy]quinazoline

4-[(4-fluoro-2-methyl-1H-indol-5-yl)oxy]-6-methoxy-7-(3-piperazin-1-ylpropoxy)quinazoline;4-[(4-fluoro-2-methyl-1H-indol-5-yl)oxy]-6-methoxy-7-[3-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]propoxy]quinazoline (PubChem CID 158270789) has the molecular formula C52H57F5N10O6 and a molecular weight of 1013.08 g/mol. Its IUPAC name is 4-[(4-fluoro-2-methyl-1H-indol-5-yl)oxy]-6-methoxy-7-(3-piperazin-1-ylpropoxy)quinazoline;4-[(4-fluoro-2-methyl-1H-indol-5-yl)oxy]-6-methoxy-7-[3-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]propoxy]quinazoline.

Molecular Properties

Compound Name4-[(4-fluoro-2-methyl-1H-indol-5-yl)oxy]-6-methoxy-7-(3-piperazin-1-ylpropoxy)quinazoline;4-[(4-fluoro-2-methyl-1H-indol-5-yl)oxy]-6-methoxy-7-[3-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]propoxy]quinazoline
PubChem CID158270789
Molecular FormulaC52H57F5N10O6
Molecular Weight1013.08 g/mol
Exact Mass1012.44
IUPAC Name4-[(4-fluoro-2-methyl-1H-indol-5-yl)oxy]-6-methoxy-7-(3-piperazin-1-ylpropoxy)quinazoline;4-[(4-fluoro-2-methyl-1H-indol-5-yl)oxy]-6-methoxy-7-[3-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]propoxy]quinazoline
SMILESCOc1cc2c(Oc3ccc4[nH]c(C)cc4c3F)ncnc2cc1OCCCN1CCN(CC(F)(F)F)CC1.COc1cc2c(Oc3ccc4[nH]c(C)cc4c3F)ncnc2cc1OCCCN1CCNCC1
InChIInChI=1S/C27H29F4N5O3.C25H28FN5O3/c1-17-12-18-20(34-17)4-5-22(25(18)28)39-26-19-13-23(37-2)24(14-21(19)32-16-33-26)38-11-3-6-35-7-9-36(10-8-35)15-27(29,30)31;1-16-12-17-19(30-16)4-5-21(24(17)26)34-25-18-13-22(32-2)23(14-20(18)28-15-29-25)33-11-3-8-31-9-6-27-7-10-31/h4-5,12-14,16,34H,3,6-11,15H2,1-2H3;4-5,12-15,27,30H,3,6-11H2,1-2H3
InChIKeyGIZRHTASDVUQCV-UHFFFAOYSA-N
XLogP9.34
TPSA160.27 Ų
H-Bond Donors3
H-Bond Acceptors14
Rotatable Bonds17
Heavy Atoms73
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001013.08
LogP ≤ 59.34
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1014

Computed Properties (RDKit)

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

Analyze 4-[(4-fluoro-2-methyl-1H-indol-5-yl)oxy]-6-methoxy-7-(3-piperazin-1-ylpropoxy)quinazoline;4-[(4-fluoro-2-methyl-1H-indol-5-yl)oxy]-6-methoxy-7-[3-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]propoxy]quinazoline with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

Cediranib
CID 9933475
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
4-[7-[3-(4,4-difluoropiperidin-1-yl)propoxy]-6-methoxyquinazolin-4-yl]-N-(4-propan-2-yloxyphenyl)piperazine-1-carboxamide
CID 10121424
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
4-[6-Methoxy-7-(2-methoxy-ethoxy)-quinazolin-4-yl]-piperazine-1-carboxylic acid [4-(1H-indol-5-yloxy)-phenyl]-amide
CID 10209993
N-(4-(6,7-dimethoxyquinazolin-4-yloxy)-3-fluorophenyl)-2-oxo-3-phenylimidazolidine-1-carboxamide
CID 45483519
Synthesis of 7-(3-[4,4-bis(hydroxymethyl)-1-piperidinyl]propoxy)-4-(4-fluoro-2-methyl-1H-indol-5-yloxy)-6-methoxyquinazoline
CID 138562485
Cediranib Maleate
CID 11226834
4-[7-[3-(3,3-difluoropiperidin-1-yl)propoxy]-6-methoxyquinazolin-4-yl]-N-(4-propan-2-yloxyphenyl)piperazine-1-carboxamide
CID 10963044
N-[3-fluoro-4-[6-methoxy-7-(3-piperidin-1-ylpropoxy)quinolin-4-yl]oxyphenyl]-4-phenylpyrimidine-2-carboxamide
CID 73346396

Frequently Asked Questions

What is the IUPAC name of 4-[(4-fluoro-2-methyl-1H-indol-5-yl)oxy]-6-methoxy-7-(3-piperazin-1-ylpropoxy)quinazoline;4-[(4-fluoro-2-methyl-1H-indol-5-yl)oxy]-6-methoxy-7-[3-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]propoxy]quinazoline?
The IUPAC name of 4-[(4-fluoro-2-methyl-1H-indol-5-yl)oxy]-6-methoxy-7-(3-piperazin-1-ylpropoxy)quinazoline;4-[(4-fluoro-2-methyl-1H-indol-5-yl)oxy]-6-methoxy-7-[3-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]propoxy]quinazoline (CID 158270789) is 4-[(4-fluoro-2-methyl-1H-indol-5-yl)oxy]-6-methoxy-7-(3-piperazin-1-ylpropoxy)quinazoline;4-[(4-fluoro-2-methyl-1H-indol-5-yl)oxy]-6-methoxy-7-[3-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]propoxy]quinazoline.
What is the SMILES notation for 4-[(4-fluoro-2-methyl-1H-indol-5-yl)oxy]-6-methoxy-7-(3-piperazin-1-ylpropoxy)quinazoline;4-[(4-fluoro-2-methyl-1H-indol-5-yl)oxy]-6-methoxy-7-[3-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]propoxy]quinazoline?
The canonical SMILES for 4-[(4-fluoro-2-methyl-1H-indol-5-yl)oxy]-6-methoxy-7-(3-piperazin-1-ylpropoxy)quinazoline;4-[(4-fluoro-2-methyl-1H-indol-5-yl)oxy]-6-methoxy-7-[3-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]propoxy]quinazoline is COc1cc2c(Oc3ccc4[nH]c(C)cc4c3F)ncnc2cc1OCCCN1CCN(CC(F)(F)F)CC1.COc1cc2c(Oc3ccc4[nH]c(C)cc4c3F)ncnc2cc1OCCCN1CCNCC1.
What is the InChIKey of 4-[(4-fluoro-2-methyl-1H-indol-5-yl)oxy]-6-methoxy-7-(3-piperazin-1-ylpropoxy)quinazoline;4-[(4-fluoro-2-methyl-1H-indol-5-yl)oxy]-6-methoxy-7-[3-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]propoxy]quinazoline?
The InChIKey is GIZRHTASDVUQCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H29F4N5O3.C25H28FN5O3/c1-17-12-18-20(34-17)4-5-22(25(18)28)39-26-19-13-23(37-2)24(14-21(19)32-16-33-26)38-11-3-6-35-7-9-36(10-8-35)15-27(29,30)31;1-16-12-17-19(30-16)4-5-21(24(17)26)34-25-18-13-22(32-2)23(14-20(18)28-15-29-25)33-11-3-8-31-9-6-27-7-10-31/h4-5,12-14,16,34H,3,6-11,15H2,1-2H3;4-5,12-15,27,30H,3,6-11H2,1-2H3.
What are the key properties of 4-[(4-fluoro-2-methyl-1H-indol-5-yl)oxy]-6-methoxy-7-(3-piperazin-1-ylpropoxy)quinazoline;4-[(4-fluoro-2-methyl-1H-indol-5-yl)oxy]-6-methoxy-7-[3-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]propoxy]quinazoline?
4-[(4-fluoro-2-methyl-1H-indol-5-yl)oxy]-6-methoxy-7-(3-piperazin-1-ylpropoxy)quinazoline;4-[(4-fluoro-2-methyl-1H-indol-5-yl)oxy]-6-methoxy-7-[3-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]propoxy]quinazoline has a molecular weight of 1013.08 g/mol, XLogP of 9.34, 17 rotatable bonds, 3 hydrogen bond donors, and 14 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(4-fluoro-2-methyl-1H-indol-5-yl)oxy]-6-methoxy-7-(3-piperazin-1-ylpropoxy)quinazoline;4-[(4-fluoro-2-methyl-1H-indol-5-yl)oxy]-6-methoxy-7-[3-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]propoxy]quinazoline is sourced from PubChem (CID 158270789), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).