4-[3-cyano-6-methoxy-7-(2-methoxyethoxy)quinolin-4-yl]-N-[4-(1H-indol-5-yloxy)phenyl]piperazine-1-carboxamide

C33H32N6O5 — CID 10210623

IUPAC4-[3-cyano-6-methoxy-7-(2-methoxyethoxy)quinolin-4-yl]-N-[4-(1H-indol-5-yloxy)phenyl]piperazine-1-carboxamide
SMILESCOCCOc1cc2ncc(C#N)c(N3CCN(C(=O)Nc4ccc(Oc5ccc6[nH]ccc6c5)cc4)CC3)c2cc1OC
InChIInChI=1S/C33H32N6O5/c1-41-15-16-43-31-19-29-27(18-30(31)42-2)32(23(20-34)21-36-29)38-11-13-39(14-12-38)33(40)37-24-3-5-25(6-4-24)44-26-7-8-28-22(17-26)9-10-35-28/h3-10,17-19,21,35H,11-16H2,1-2H3,(H,37,40)
InChIKeyRZVRCYLPMXANDU-UHFFFAOYSA-N
MW592.66 g/mol
LogP5.77
Rot. Bonds9

About 4-[3-cyano-6-methoxy-7-(2-methoxyethoxy)quinolin-4-yl]-N-[4-(1H-indol-5-yloxy)phenyl]piperazine-1-carboxamide

4-[3-cyano-6-methoxy-7-(2-methoxyethoxy)quinolin-4-yl]-N-[4-(1H-indol-5-yloxy)phenyl]piperazine-1-carboxamide (PubChem CID 10210623) has the molecular formula C33H32N6O5 and a molecular weight of 592.66 g/mol. Its IUPAC name is 4-[3-cyano-6-methoxy-7-(2-methoxyethoxy)quinolin-4-yl]-N-[4-(1H-indol-5-yloxy)phenyl]piperazine-1-carboxamide.

Molecular Properties

Compound Name4-[3-cyano-6-methoxy-7-(2-methoxyethoxy)quinolin-4-yl]-N-[4-(1H-indol-5-yloxy)phenyl]piperazine-1-carboxamide
PubChem CID10210623
Molecular FormulaC33H32N6O5
Molecular Weight592.66 g/mol
Exact Mass592.24
IUPAC Name4-[3-cyano-6-methoxy-7-(2-methoxyethoxy)quinolin-4-yl]-N-[4-(1H-indol-5-yloxy)phenyl]piperazine-1-carboxamide
SMILESCOCCOc1cc2ncc(C#N)c(N3CCN(C(=O)Nc4ccc(Oc5ccc6[nH]ccc6c5)cc4)CC3)c2cc1OC
InChIInChI=1S/C33H32N6O5/c1-41-15-16-43-31-19-29-27(18-30(31)42-2)32(23(20-34)21-36-29)38-11-13-39(14-12-38)33(40)37-24-3-5-25(6-4-24)44-26-7-8-28-22(17-26)9-10-35-28/h3-10,17-19,21,35H,11-16H2,1-2H3,(H,37,40)
InChIKeyRZVRCYLPMXANDU-UHFFFAOYSA-N
XLogP5.77
TPSA124.97 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds9
Heavy Atoms44
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500592.66
LogP ≤ 55.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

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Related Compounds

4-[[4-[3-cyano-6-methoxy-7-(3-pyrrolidin-1-ylpropoxy)quinolin-4-yl]piperazine-1-carbonyl]amino]benzoic acid
CID 22284852
4-[3-cyano-6-methoxy-7-(3-morpholin-4-ylpropoxy)quinolin-4-yl]-N-(4-propan-2-yloxyphenyl)piperazine-1-carboxamide
CID 10281928
4-[3-cyano-6-methoxy-7-(2-piperidin-2-ylethoxy)quinolin-4-yl]-N-(4-cyanophenyl)piperazine-1-carboxamide
CID 22284819
4-[6-methoxy-7-(2-methoxyethoxy)quinazolin-4-yl]-N-(4-naphthalen-2-yloxyphenyl)piperazine-1-carboxamide
CID 10281714
N-(4-cyanophenyl)-4-[7-methoxy-6-(2-methoxyethoxy)quinazolin-4-yl]piperazine-1-carboxamide
CID 10344304
4-[3-cyano-6-methoxy-7-(2-methoxyethoxy)quinolin-2-yl]-N-(4-cyanophenyl)piperazine-1-carboxamide
CID 91197026
4-[6,7-bis(2-methoxyethoxy)quinazolin-4-yl]-N-(4-phenoxyphenyl)piperazine-1-carboxamide
CID 10166902
N-(4-cyanophenyl)-4-[3-(hydroxymethyl)-6-methoxy-7-(3-pyrrolidin-1-ylpropoxy)quinolin-4-yl]piperazine-1-carboxamide
CID 10230748
4-[3-cyano-6-methoxy-7-(3-pyrrolidin-1-ylpropoxy)quinolin-4-yl]piperazine-1-carboxylic acid
CID 22284821
4-(6-methoxy-7-propoxyquinazolin-4-yl)-N-(4-phenoxyphenyl)piperazine-1-carboxamide
CID 11752632
4-[7-[3-[amino-[(Z)-2-aminoethenyl]amino]propoxy]-3-formyl-6-methoxyquinolin-4-yl]-N-(4-cyanophenyl)piperazine-1-carboxamide
CID 142169746
[anilino-[4-(3-cyano-6-methoxy-7-prop-2-enoxyquinolin-4-yl)piperazin-1-yl]methylidene]vanadium;[anilino-[4-(3-cyano-7-methoxy-6-prop-2-enoxyquinolin-4-yl)piperazin-1-yl]methylidene]vanadium;bis(yttrium)
CID 159880698

Frequently Asked Questions

What is the IUPAC name of 4-[3-cyano-6-methoxy-7-(2-methoxyethoxy)quinolin-4-yl]-N-[4-(1H-indol-5-yloxy)phenyl]piperazine-1-carboxamide?
The IUPAC name of 4-[3-cyano-6-methoxy-7-(2-methoxyethoxy)quinolin-4-yl]-N-[4-(1H-indol-5-yloxy)phenyl]piperazine-1-carboxamide (CID 10210623) is 4-[3-cyano-6-methoxy-7-(2-methoxyethoxy)quinolin-4-yl]-N-[4-(1H-indol-5-yloxy)phenyl]piperazine-1-carboxamide.
What is the SMILES notation for 4-[3-cyano-6-methoxy-7-(2-methoxyethoxy)quinolin-4-yl]-N-[4-(1H-indol-5-yloxy)phenyl]piperazine-1-carboxamide?
The canonical SMILES for 4-[3-cyano-6-methoxy-7-(2-methoxyethoxy)quinolin-4-yl]-N-[4-(1H-indol-5-yloxy)phenyl]piperazine-1-carboxamide is COCCOc1cc2ncc(C#N)c(N3CCN(C(=O)Nc4ccc(Oc5ccc6[nH]ccc6c5)cc4)CC3)c2cc1OC.
What is the InChIKey of 4-[3-cyano-6-methoxy-7-(2-methoxyethoxy)quinolin-4-yl]-N-[4-(1H-indol-5-yloxy)phenyl]piperazine-1-carboxamide?
The InChIKey is RZVRCYLPMXANDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H32N6O5/c1-41-15-16-43-31-19-29-27(18-30(31)42-2)32(23(20-34)21-36-29)38-11-13-39(14-12-38)33(40)37-24-3-5-25(6-4-24)44-26-7-8-28-22(17-26)9-10-35-28/h3-10,17-19,21,35H,11-16H2,1-2H3,(H,37,40).
What are the key properties of 4-[3-cyano-6-methoxy-7-(2-methoxyethoxy)quinolin-4-yl]-N-[4-(1H-indol-5-yloxy)phenyl]piperazine-1-carboxamide?
4-[3-cyano-6-methoxy-7-(2-methoxyethoxy)quinolin-4-yl]-N-[4-(1H-indol-5-yloxy)phenyl]piperazine-1-carboxamide has a molecular weight of 592.66 g/mol, XLogP of 5.77, 9 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-cyano-6-methoxy-7-(2-methoxyethoxy)quinolin-4-yl]-N-[4-(1H-indol-5-yloxy)phenyl]piperazine-1-carboxamide is sourced from PubChem (CID 10210623), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).