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

C30H30N6O4 — CID 10165712

IUPACN-[4-(1H-indol-5-yloxy)phenyl]-4-[7-(2-methoxyethoxy)quinazolin-4-yl]piperazine-1-carboxamide
SMILESCOCCOc1ccc2c(N3CCN(C(=O)Nc4ccc(Oc5ccc6[nH]ccc6c5)cc4)CC3)ncnc2c1
InChIInChI=1S/C30H30N6O4/c1-38-16-17-39-24-6-8-26-28(19-24)32-20-33-29(26)35-12-14-36(15-13-35)30(37)34-22-2-4-23(5-3-22)40-25-7-9-27-21(18-25)10-11-31-27/h2-11,18-20,31H,12-17H2,1H3,(H,34,37)
InChIKeyWQHVFQMJALJJSX-UHFFFAOYSA-N
MW538.61 g/mol
LogP5.28
Rot. Bonds8

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

N-[4-(1H-indol-5-yloxy)phenyl]-4-[7-(2-methoxyethoxy)quinazolin-4-yl]piperazine-1-carboxamide (PubChem CID 10165712) has the molecular formula C30H30N6O4 and a molecular weight of 538.61 g/mol. Its IUPAC name is N-[4-(1H-indol-5-yloxy)phenyl]-4-[7-(2-methoxyethoxy)quinazolin-4-yl]piperazine-1-carboxamide.

Molecular Properties

Compound NameN-[4-(1H-indol-5-yloxy)phenyl]-4-[7-(2-methoxyethoxy)quinazolin-4-yl]piperazine-1-carboxamide
PubChem CID10165712
Molecular FormulaC30H30N6O4
Molecular Weight538.61 g/mol
Exact Mass538.23
IUPAC NameN-[4-(1H-indol-5-yloxy)phenyl]-4-[7-(2-methoxyethoxy)quinazolin-4-yl]piperazine-1-carboxamide
SMILESCOCCOc1ccc2c(N3CCN(C(=O)Nc4ccc(Oc5ccc6[nH]ccc6c5)cc4)CC3)ncnc2c1
InChIInChI=1S/C30H30N6O4/c1-38-16-17-39-24-6-8-26-28(19-24)32-20-33-29(26)35-12-14-36(15-13-35)30(37)34-22-2-4-23(5-3-22)40-25-7-9-27-21(18-25)10-11-31-27/h2-11,18-20,31H,12-17H2,1H3,(H,34,37)
InChIKeyWQHVFQMJALJJSX-UHFFFAOYSA-N
XLogP5.28
TPSA104.84 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500538.61
LogP ≤ 55.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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 N-[4-(1H-indol-5-yloxy)phenyl]-4-[7-(2-methoxyethoxy)quinazolin-4-yl]piperazine-1-carboxamide?
The IUPAC name of N-[4-(1H-indol-5-yloxy)phenyl]-4-[7-(2-methoxyethoxy)quinazolin-4-yl]piperazine-1-carboxamide (CID 10165712) is N-[4-(1H-indol-5-yloxy)phenyl]-4-[7-(2-methoxyethoxy)quinazolin-4-yl]piperazine-1-carboxamide.
What is the SMILES notation for N-[4-(1H-indol-5-yloxy)phenyl]-4-[7-(2-methoxyethoxy)quinazolin-4-yl]piperazine-1-carboxamide?
The canonical SMILES for N-[4-(1H-indol-5-yloxy)phenyl]-4-[7-(2-methoxyethoxy)quinazolin-4-yl]piperazine-1-carboxamide is COCCOc1ccc2c(N3CCN(C(=O)Nc4ccc(Oc5ccc6[nH]ccc6c5)cc4)CC3)ncnc2c1.
What is the InChIKey of N-[4-(1H-indol-5-yloxy)phenyl]-4-[7-(2-methoxyethoxy)quinazolin-4-yl]piperazine-1-carboxamide?
The InChIKey is WQHVFQMJALJJSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H30N6O4/c1-38-16-17-39-24-6-8-26-28(19-24)32-20-33-29(26)35-12-14-36(15-13-35)30(37)34-22-2-4-23(5-3-22)40-25-7-9-27-21(18-25)10-11-31-27/h2-11,18-20,31H,12-17H2,1H3,(H,34,37).
What are the key properties of N-[4-(1H-indol-5-yloxy)phenyl]-4-[7-(2-methoxyethoxy)quinazolin-4-yl]piperazine-1-carboxamide?
N-[4-(1H-indol-5-yloxy)phenyl]-4-[7-(2-methoxyethoxy)quinazolin-4-yl]piperazine-1-carboxamide has a molecular weight of 538.61 g/mol, XLogP of 5.28, 8 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(1H-indol-5-yloxy)phenyl]-4-[7-(2-methoxyethoxy)quinazolin-4-yl]piperazine-1-carboxamide is sourced from PubChem (CID 10165712), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).