4-[6,7-bis(2-methoxyethoxy)quinazolin-4-yl]-N-[4-(2,3-dihydro-1H-indol-4-yloxy)phenyl]piperazine-1-carboxamide

C33H38N6O6 — CID 10121737

IUPAC4-[6,7-bis(2-methoxyethoxy)quinazolin-4-yl]-N-[4-(2,3-dihydro-1H-indol-4-yloxy)phenyl]piperazine-1-carboxamide
SMILESCOCCOc1cc2ncnc(N3CCN(C(=O)Nc4ccc(Oc5cccc6c5CCN6)cc4)CC3)c2cc1OCCOC
InChIInChI=1S/C33H38N6O6/c1-41-16-18-43-30-20-26-28(21-31(30)44-19-17-42-2)35-22-36-32(26)38-12-14-39(15-13-38)33(40)37-23-6-8-24(9-7-23)45-29-5-3-4-27-25(29)10-11-34-27/h3-9,20-22,34H,10-19H2,1-2H3,(H,37,40)
InChIKeyJEHGWHWSGLKJKF-UHFFFAOYSA-N
MW614.70 g/mol
LogP4.79
Rot. Bonds12

About 4-[6,7-bis(2-methoxyethoxy)quinazolin-4-yl]-N-[4-(2,3-dihydro-1H-indol-4-yloxy)phenyl]piperazine-1-carboxamide

4-[6,7-bis(2-methoxyethoxy)quinazolin-4-yl]-N-[4-(2,3-dihydro-1H-indol-4-yloxy)phenyl]piperazine-1-carboxamide (PubChem CID 10121737) has the molecular formula C33H38N6O6 and a molecular weight of 614.70 g/mol. Its IUPAC name is 4-[6,7-bis(2-methoxyethoxy)quinazolin-4-yl]-N-[4-(2,3-dihydro-1H-indol-4-yloxy)phenyl]piperazine-1-carboxamide.

Molecular Properties

Compound Name4-[6,7-bis(2-methoxyethoxy)quinazolin-4-yl]-N-[4-(2,3-dihydro-1H-indol-4-yloxy)phenyl]piperazine-1-carboxamide
PubChem CID10121737
Molecular FormulaC33H38N6O6
Molecular Weight614.70 g/mol
Exact Mass614.29
IUPAC Name4-[6,7-bis(2-methoxyethoxy)quinazolin-4-yl]-N-[4-(2,3-dihydro-1H-indol-4-yloxy)phenyl]piperazine-1-carboxamide
SMILESCOCCOc1cc2ncnc(N3CCN(C(=O)Nc4ccc(Oc5cccc6c5CCN6)cc4)CC3)c2cc1OCCOC
InChIInChI=1S/C33H38N6O6/c1-41-16-18-43-30-20-26-28(21-31(30)44-19-17-42-2)35-22-36-32(26)38-12-14-39(15-13-38)33(40)37-23-6-8-24(9-7-23)45-29-5-3-4-27-25(29)10-11-34-27/h3-9,20-22,34H,10-19H2,1-2H3,(H,37,40)
InChIKeyJEHGWHWSGLKJKF-UHFFFAOYSA-N
XLogP4.79
TPSA119.54 Ų
H-Bond Donors2
H-Bond Acceptors10
Rotatable Bonds12
Heavy Atoms45
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500614.70
LogP ≤ 54.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1010

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-[6,7-bis(2-methoxyethoxy)quinazolin-4-yl]-N-[4-(2,3-dihydro-1H-indol-4-yloxy)phenyl]piperazine-1-carboxamide?
The IUPAC name of 4-[6,7-bis(2-methoxyethoxy)quinazolin-4-yl]-N-[4-(2,3-dihydro-1H-indol-4-yloxy)phenyl]piperazine-1-carboxamide (CID 10121737) is 4-[6,7-bis(2-methoxyethoxy)quinazolin-4-yl]-N-[4-(2,3-dihydro-1H-indol-4-yloxy)phenyl]piperazine-1-carboxamide.
What is the SMILES notation for 4-[6,7-bis(2-methoxyethoxy)quinazolin-4-yl]-N-[4-(2,3-dihydro-1H-indol-4-yloxy)phenyl]piperazine-1-carboxamide?
The canonical SMILES for 4-[6,7-bis(2-methoxyethoxy)quinazolin-4-yl]-N-[4-(2,3-dihydro-1H-indol-4-yloxy)phenyl]piperazine-1-carboxamide is COCCOc1cc2ncnc(N3CCN(C(=O)Nc4ccc(Oc5cccc6c5CCN6)cc4)CC3)c2cc1OCCOC.
What is the InChIKey of 4-[6,7-bis(2-methoxyethoxy)quinazolin-4-yl]-N-[4-(2,3-dihydro-1H-indol-4-yloxy)phenyl]piperazine-1-carboxamide?
The InChIKey is JEHGWHWSGLKJKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H38N6O6/c1-41-16-18-43-30-20-26-28(21-31(30)44-19-17-42-2)35-22-36-32(26)38-12-14-39(15-13-38)33(40)37-23-6-8-24(9-7-23)45-29-5-3-4-27-25(29)10-11-34-27/h3-9,20-22,34H,10-19H2,1-2H3,(H,37,40).
What are the key properties of 4-[6,7-bis(2-methoxyethoxy)quinazolin-4-yl]-N-[4-(2,3-dihydro-1H-indol-4-yloxy)phenyl]piperazine-1-carboxamide?
4-[6,7-bis(2-methoxyethoxy)quinazolin-4-yl]-N-[4-(2,3-dihydro-1H-indol-4-yloxy)phenyl]piperazine-1-carboxamide has a molecular weight of 614.70 g/mol, XLogP of 4.79, 12 rotatable bonds, 2 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[6,7-bis(2-methoxyethoxy)quinazolin-4-yl]-N-[4-(2,3-dihydro-1H-indol-4-yloxy)phenyl]piperazine-1-carboxamide is sourced from PubChem (CID 10121737), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).