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

C28H33N7O4 — CID 10280082

IUPACN-(4-cyanophenyl)-4-[6-methoxy-7-(3-morpholin-4-ylpropoxy)quinazolin-4-yl]piperazine-1-carboxamide
SMILESCOc1cc2c(N3CCN(C(=O)Nc4ccc(C#N)cc4)CC3)ncnc2cc1OCCCN1CCOCC1
InChIInChI=1S/C28H33N7O4/c1-37-25-17-23-24(18-26(25)39-14-2-7-33-12-15-38-16-13-33)30-20-31-27(23)34-8-10-35(11-9-34)28(36)32-22-5-3-21(19-29)4-6-22/h3-6,17-18,20H,2,7-16H2,1H3,(H,32,36)
InChIKeyZRCLLIDFMWBFFK-UHFFFAOYSA-N
MW531.62 g/mol
LogP2.97
Rot. Bonds8

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

N-(4-cyanophenyl)-4-[6-methoxy-7-(3-morpholin-4-ylpropoxy)quinazolin-4-yl]piperazine-1-carboxamide (PubChem CID 10280082) has the molecular formula C28H33N7O4 and a molecular weight of 531.62 g/mol. Its IUPAC name is N-(4-cyanophenyl)-4-[6-methoxy-7-(3-morpholin-4-ylpropoxy)quinazolin-4-yl]piperazine-1-carboxamide.

Molecular Properties

Compound NameN-(4-cyanophenyl)-4-[6-methoxy-7-(3-morpholin-4-ylpropoxy)quinazolin-4-yl]piperazine-1-carboxamide
PubChem CID10280082
Molecular FormulaC28H33N7O4
Molecular Weight531.62 g/mol
Exact Mass531.26
IUPAC NameN-(4-cyanophenyl)-4-[6-methoxy-7-(3-morpholin-4-ylpropoxy)quinazolin-4-yl]piperazine-1-carboxamide
SMILESCOc1cc2c(N3CCN(C(=O)Nc4ccc(C#N)cc4)CC3)ncnc2cc1OCCCN1CCOCC1
InChIInChI=1S/C28H33N7O4/c1-37-25-17-23-24(18-26(25)39-14-2-7-33-12-15-38-16-13-33)30-20-31-27(23)34-8-10-35(11-9-34)28(36)32-22-5-3-21(19-29)4-6-22/h3-6,17-18,20H,2,7-16H2,1H3,(H,32,36)
InChIKeyZRCLLIDFMWBFFK-UHFFFAOYSA-N
XLogP2.97
TPSA116.08 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds8
Heavy Atoms39
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500531.62
LogP ≤ 52.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

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

Analyze N-(4-cyanophenyl)-4-[6-methoxy-7-(3-morpholin-4-ylpropoxy)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-cyanophenyl)-4-[6-methoxy-7-(3-morpholin-4-ylpropoxy)quinazolin-4-yl]piperazine-1-carboxamide?
The IUPAC name of N-(4-cyanophenyl)-4-[6-methoxy-7-(3-morpholin-4-ylpropoxy)quinazolin-4-yl]piperazine-1-carboxamide (CID 10280082) is N-(4-cyanophenyl)-4-[6-methoxy-7-(3-morpholin-4-ylpropoxy)quinazolin-4-yl]piperazine-1-carboxamide.
What is the SMILES notation for N-(4-cyanophenyl)-4-[6-methoxy-7-(3-morpholin-4-ylpropoxy)quinazolin-4-yl]piperazine-1-carboxamide?
The canonical SMILES for N-(4-cyanophenyl)-4-[6-methoxy-7-(3-morpholin-4-ylpropoxy)quinazolin-4-yl]piperazine-1-carboxamide is COc1cc2c(N3CCN(C(=O)Nc4ccc(C#N)cc4)CC3)ncnc2cc1OCCCN1CCOCC1.
What is the InChIKey of N-(4-cyanophenyl)-4-[6-methoxy-7-(3-morpholin-4-ylpropoxy)quinazolin-4-yl]piperazine-1-carboxamide?
The InChIKey is ZRCLLIDFMWBFFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H33N7O4/c1-37-25-17-23-24(18-26(25)39-14-2-7-33-12-15-38-16-13-33)30-20-31-27(23)34-8-10-35(11-9-34)28(36)32-22-5-3-21(19-29)4-6-22/h3-6,17-18,20H,2,7-16H2,1H3,(H,32,36).
What are the key properties of N-(4-cyanophenyl)-4-[6-methoxy-7-(3-morpholin-4-ylpropoxy)quinazolin-4-yl]piperazine-1-carboxamide?
N-(4-cyanophenyl)-4-[6-methoxy-7-(3-morpholin-4-ylpropoxy)quinazolin-4-yl]piperazine-1-carboxamide has a molecular weight of 531.62 g/mol, XLogP of 2.97, 8 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-cyanophenyl)-4-[6-methoxy-7-(3-morpholin-4-ylpropoxy)quinazolin-4-yl]piperazine-1-carboxamide is sourced from PubChem (CID 10280082), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).