4-[3-(aminomethyl)-6-methoxy-7-(3-morpholin-4-ylpropoxy)quinolin-4-yl]-N-(4-cyanophenyl)piperazine-1-carboxamide

C30H37N7O4 — CID 10187830

IUPAC4-[3-(aminomethyl)-6-methoxy-7-(3-morpholin-4-ylpropoxy)quinolin-4-yl]-N-(4-cyanophenyl)piperazine-1-carboxamide
SMILESCOc1cc2c(N3CCN(C(=O)Nc4ccc(C#N)cc4)CC3)c(CN)cnc2cc1OCCCN1CCOCC1
InChIInChI=1S/C30H37N7O4/c1-39-27-17-25-26(18-28(27)41-14-2-7-35-12-15-40-16-13-35)33-21-23(20-32)29(25)36-8-10-37(11-9-36)30(38)34-24-5-3-22(19-31)4-6-24/h3-6,17-18,21H,2,7-16,20,32H2,1H3,(H,34,38)
InChIKeyLZAHUOWNCFUVLN-UHFFFAOYSA-N
MW559.67 g/mol
LogP3.03
Rot. Bonds9

About 4-[3-(aminomethyl)-6-methoxy-7-(3-morpholin-4-ylpropoxy)quinolin-4-yl]-N-(4-cyanophenyl)piperazine-1-carboxamide

4-[3-(aminomethyl)-6-methoxy-7-(3-morpholin-4-ylpropoxy)quinolin-4-yl]-N-(4-cyanophenyl)piperazine-1-carboxamide (PubChem CID 10187830) has the molecular formula C30H37N7O4 and a molecular weight of 559.67 g/mol. Its IUPAC name is 4-[3-(aminomethyl)-6-methoxy-7-(3-morpholin-4-ylpropoxy)quinolin-4-yl]-N-(4-cyanophenyl)piperazine-1-carboxamide.

Molecular Properties

Compound Name4-[3-(aminomethyl)-6-methoxy-7-(3-morpholin-4-ylpropoxy)quinolin-4-yl]-N-(4-cyanophenyl)piperazine-1-carboxamide
PubChem CID10187830
Molecular FormulaC30H37N7O4
Molecular Weight559.67 g/mol
Exact Mass559.29
IUPAC Name4-[3-(aminomethyl)-6-methoxy-7-(3-morpholin-4-ylpropoxy)quinolin-4-yl]-N-(4-cyanophenyl)piperazine-1-carboxamide
SMILESCOc1cc2c(N3CCN(C(=O)Nc4ccc(C#N)cc4)CC3)c(CN)cnc2cc1OCCCN1CCOCC1
InChIInChI=1S/C30H37N7O4/c1-39-27-17-25-26(18-28(27)41-14-2-7-35-12-15-40-16-13-35)33-21-23(20-32)29(25)36-8-10-37(11-9-36)30(38)34-24-5-3-22(19-31)4-6-24/h3-6,17-18,21H,2,7-16,20,32H2,1H3,(H,34,38)
InChIKeyLZAHUOWNCFUVLN-UHFFFAOYSA-N
XLogP3.03
TPSA129.21 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds9
Heavy Atoms41
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500559.67
LogP ≤ 53.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

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

Analyze 4-[3-(aminomethyl)-6-methoxy-7-(3-morpholin-4-ylpropoxy)quinolin-4-yl]-N-(4-cyanophenyl)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

Related Compounds

N-(4-cyanophenyl)-4-[3-(hydroxymethyl)-6-methoxy-7-(3-pyrrolidin-1-ylpropoxy)quinolin-4-yl]piperazine-1-carboxamide
CID 10230748
4-[3-fluoro-6-methoxy-7-(3-morpholin-4-ylpropoxy)quinolin-4-yl]-N-(4-methylphenyl)piperazine-1-carboxamide
CID 163790632
4-[3-cyano-6-methoxy-7-(3-morpholin-4-ylpropoxy)quinolin-4-yl]-N-(4-propan-2-yloxyphenyl)piperazine-1-carboxamide
CID 10281928
4-[[4-[3-cyano-6-methoxy-7-(3-pyrrolidin-1-ylpropoxy)quinolin-4-yl]piperazine-1-carbonyl]amino]benzoic acid
CID 22284852
4-[7-[3-[amino-[(Z)-2-aminoethenyl]amino]propoxy]-3-formyl-6-methoxyquinolin-4-yl]-N-(4-cyanophenyl)piperazine-1-carboxamide
CID 142169746
4-[3-cyano-6-methoxy-7-(2-piperidin-2-ylethoxy)quinolin-4-yl]-N-(4-cyanophenyl)piperazine-1-carboxamide
CID 22284819
ethyl 7-[3-[amino-[(Z)-2-aminoethenyl]amino]propoxy]-4-[4-[(4-cyanophenyl)carbamoyl]piperazin-1-yl]-6-methoxyquinoline-3-carboxylate
CID 142169747
N-(4-cyanophenyl)-4-[7-methoxy-6-(2-methoxyethoxy)quinazolin-4-yl]piperazine-1-carboxamide
CID 10344304
(4-cyanophenyl) 4-[3-fluoro-6-methoxy-7-(3-pyrrolidin-1-ylpropoxy)quinolin-4-yl]piperazine-1-carboxylate
CID 91206858
N-(4-cyanophenyl)-4-[6-methoxy-7-[3-(triazol-1-yl)propoxy]quinazolin-4-yl]piperazine-1-carboxamide
CID 10907383
N-(4-cyanophenyl)-4-[6-methoxy-7-(2-pyrrol-1-ylethoxy)quinazolin-4-yl]piperazine-1-carboxamide
CID 10918068
2-[4-[4-[(4-cyanophenyl)carbamoyl]piperazin-1-yl]-7-methoxyquinazolin-6-yl]oxyacetic acid
CID 11190431

Frequently Asked Questions

What is the IUPAC name of 4-[3-(aminomethyl)-6-methoxy-7-(3-morpholin-4-ylpropoxy)quinolin-4-yl]-N-(4-cyanophenyl)piperazine-1-carboxamide?
The IUPAC name of 4-[3-(aminomethyl)-6-methoxy-7-(3-morpholin-4-ylpropoxy)quinolin-4-yl]-N-(4-cyanophenyl)piperazine-1-carboxamide (CID 10187830) is 4-[3-(aminomethyl)-6-methoxy-7-(3-morpholin-4-ylpropoxy)quinolin-4-yl]-N-(4-cyanophenyl)piperazine-1-carboxamide.
What is the SMILES notation for 4-[3-(aminomethyl)-6-methoxy-7-(3-morpholin-4-ylpropoxy)quinolin-4-yl]-N-(4-cyanophenyl)piperazine-1-carboxamide?
The canonical SMILES for 4-[3-(aminomethyl)-6-methoxy-7-(3-morpholin-4-ylpropoxy)quinolin-4-yl]-N-(4-cyanophenyl)piperazine-1-carboxamide is COc1cc2c(N3CCN(C(=O)Nc4ccc(C#N)cc4)CC3)c(CN)cnc2cc1OCCCN1CCOCC1.
What is the InChIKey of 4-[3-(aminomethyl)-6-methoxy-7-(3-morpholin-4-ylpropoxy)quinolin-4-yl]-N-(4-cyanophenyl)piperazine-1-carboxamide?
The InChIKey is LZAHUOWNCFUVLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H37N7O4/c1-39-27-17-25-26(18-28(27)41-14-2-7-35-12-15-40-16-13-35)33-21-23(20-32)29(25)36-8-10-37(11-9-36)30(38)34-24-5-3-22(19-31)4-6-24/h3-6,17-18,21H,2,7-16,20,32H2,1H3,(H,34,38).
What are the key properties of 4-[3-(aminomethyl)-6-methoxy-7-(3-morpholin-4-ylpropoxy)quinolin-4-yl]-N-(4-cyanophenyl)piperazine-1-carboxamide?
4-[3-(aminomethyl)-6-methoxy-7-(3-morpholin-4-ylpropoxy)quinolin-4-yl]-N-(4-cyanophenyl)piperazine-1-carboxamide has a molecular weight of 559.67 g/mol, XLogP of 3.03, 9 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-(aminomethyl)-6-methoxy-7-(3-morpholin-4-ylpropoxy)quinolin-4-yl]-N-(4-cyanophenyl)piperazine-1-carboxamide is sourced from PubChem (CID 10187830), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).