N-[4-(1H-indol-5-yloxy)phenyl]-4-[6-methoxy-7-(2-methoxyethoxy)quinazolin-4-yl]piperazine-1-carboxamide

C31H32N6O5 — CID 10209993

IUPACN-[4-(1H-indol-5-yloxy)phenyl]-4-[6-methoxy-7-(2-methoxyethoxy)quinazolin-4-yl]piperazine-1-carboxamide
SMILESCOCCOc1cc2ncnc(N3CCN(C(=O)Nc4ccc(Oc5ccc6[nH]ccc6c5)cc4)CC3)c2cc1OC
InChIInChI=1S/C31H32N6O5/c1-39-15-16-41-29-19-27-25(18-28(29)40-2)30(34-20-33-27)36-11-13-37(14-12-36)31(38)35-22-3-5-23(6-4-22)42-24-7-8-26-21(17-24)9-10-32-26/h3-10,17-20,32H,11-16H2,1-2H3,(H,35,38)
InChIKeyJDPYFIGKIIQSSF-UHFFFAOYSA-N
MW568.63 g/mol
LogP5.29
Rot. Bonds9

About N-[4-(1H-indol-5-yloxy)phenyl]-4-[6-methoxy-7-(2-methoxyethoxy)quinazolin-4-yl]piperazine-1-carboxamide

N-[4-(1H-indol-5-yloxy)phenyl]-4-[6-methoxy-7-(2-methoxyethoxy)quinazolin-4-yl]piperazine-1-carboxamide (PubChem CID 10209993) has the molecular formula C31H32N6O5 and a molecular weight of 568.63 g/mol. Its IUPAC name is N-[4-(1H-indol-5-yloxy)phenyl]-4-[6-methoxy-7-(2-methoxyethoxy)quinazolin-4-yl]piperazine-1-carboxamide.

Molecular Properties

Compound NameN-[4-(1H-indol-5-yloxy)phenyl]-4-[6-methoxy-7-(2-methoxyethoxy)quinazolin-4-yl]piperazine-1-carboxamide
PubChem CID10209993
Molecular FormulaC31H32N6O5
Molecular Weight568.63 g/mol
Exact Mass568.24
IUPAC NameN-[4-(1H-indol-5-yloxy)phenyl]-4-[6-methoxy-7-(2-methoxyethoxy)quinazolin-4-yl]piperazine-1-carboxamide
SMILESCOCCOc1cc2ncnc(N3CCN(C(=O)Nc4ccc(Oc5ccc6[nH]ccc6c5)cc4)CC3)c2cc1OC
InChIInChI=1S/C31H32N6O5/c1-39-15-16-41-29-19-27-25(18-28(29)40-2)30(34-20-33-27)36-11-13-37(14-12-36)31(38)35-22-3-5-23(6-4-22)42-24-7-8-26-21(17-24)9-10-32-26/h3-10,17-20,32H,11-16H2,1-2H3,(H,35,38)
InChIKeyJDPYFIGKIIQSSF-UHFFFAOYSA-N
XLogP5.29
TPSA114.07 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds9
Heavy Atoms42
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500568.63
LogP ≤ 55.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

Analyze N-[4-(1H-indol-5-yloxy)phenyl]-4-[6-methoxy-7-(2-methoxyethoxy)quinazolin-4-yl]piperazine-1-carboxamide with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[4-(1H-indol-5-yloxy)phenyl]-4-[6-methoxy-7-(2-methoxyethoxy)quinazolin-4-yl]piperazine-1-carboxamide?
The IUPAC name of N-[4-(1H-indol-5-yloxy)phenyl]-4-[6-methoxy-7-(2-methoxyethoxy)quinazolin-4-yl]piperazine-1-carboxamide (CID 10209993) is N-[4-(1H-indol-5-yloxy)phenyl]-4-[6-methoxy-7-(2-methoxyethoxy)quinazolin-4-yl]piperazine-1-carboxamide.
What is the SMILES notation for N-[4-(1H-indol-5-yloxy)phenyl]-4-[6-methoxy-7-(2-methoxyethoxy)quinazolin-4-yl]piperazine-1-carboxamide?
The canonical SMILES for N-[4-(1H-indol-5-yloxy)phenyl]-4-[6-methoxy-7-(2-methoxyethoxy)quinazolin-4-yl]piperazine-1-carboxamide is COCCOc1cc2ncnc(N3CCN(C(=O)Nc4ccc(Oc5ccc6[nH]ccc6c5)cc4)CC3)c2cc1OC.
What is the InChIKey of N-[4-(1H-indol-5-yloxy)phenyl]-4-[6-methoxy-7-(2-methoxyethoxy)quinazolin-4-yl]piperazine-1-carboxamide?
The InChIKey is JDPYFIGKIIQSSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H32N6O5/c1-39-15-16-41-29-19-27-25(18-28(29)40-2)30(34-20-33-27)36-11-13-37(14-12-36)31(38)35-22-3-5-23(6-4-22)42-24-7-8-26-21(17-24)9-10-32-26/h3-10,17-20,32H,11-16H2,1-2H3,(H,35,38).
What are the key properties of N-[4-(1H-indol-5-yloxy)phenyl]-4-[6-methoxy-7-(2-methoxyethoxy)quinazolin-4-yl]piperazine-1-carboxamide?
N-[4-(1H-indol-5-yloxy)phenyl]-4-[6-methoxy-7-(2-methoxyethoxy)quinazolin-4-yl]piperazine-1-carboxamide has a molecular weight of 568.63 g/mol, XLogP of 5.29, 9 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(1H-indol-5-yloxy)phenyl]-4-[6-methoxy-7-(2-methoxyethoxy)quinazolin-4-yl]piperazine-1-carboxamide is sourced from PubChem (CID 10209993), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).