4-ethyl-N-[4-(3-ethynylanilino)-7-methoxyquinazolin-6-yl]piperazine-1-carboxamide

C24H26N6O2 — CID 59142777

IUPAC4-ethyl-N-[4-(3-ethynylanilino)-7-methoxyquinazolin-6-yl]piperazine-1-carboxamide
SMILESC#Cc1cccc(Nc2ncnc3cc(OC)c(NC(=O)N4CCN(CC)CC4)cc23)c1
InChIInChI=1S/C24H26N6O2/c1-4-17-7-6-8-18(13-17)27-23-19-14-21(22(32-3)15-20(19)25-16-26-23)28-24(31)30-11-9-29(5-2)10-12-30/h1,6-8,13-16H,5,9-12H2,2-3H3,(H,28,31)(H,25,26,27)
InChIKeyDQAZPZIYEOGZAF-UHFFFAOYSA-N
MW430.51 g/mol
LogP3.53
Rot. Bonds5

About 4-ethyl-N-[4-(3-ethynylanilino)-7-methoxyquinazolin-6-yl]piperazine-1-carboxamide

4-ethyl-N-[4-(3-ethynylanilino)-7-methoxyquinazolin-6-yl]piperazine-1-carboxamide (PubChem CID 59142777) has the molecular formula C24H26N6O2 and a molecular weight of 430.51 g/mol. Its IUPAC name is 4-ethyl-N-[4-(3-ethynylanilino)-7-methoxyquinazolin-6-yl]piperazine-1-carboxamide.

Molecular Properties

Compound Name4-ethyl-N-[4-(3-ethynylanilino)-7-methoxyquinazolin-6-yl]piperazine-1-carboxamide
PubChem CID59142777
Molecular FormulaC24H26N6O2
Molecular Weight430.51 g/mol
Exact Mass430.21
IUPAC Name4-ethyl-N-[4-(3-ethynylanilino)-7-methoxyquinazolin-6-yl]piperazine-1-carboxamide
SMILESC#Cc1cccc(Nc2ncnc3cc(OC)c(NC(=O)N4CCN(CC)CC4)cc23)c1
InChIInChI=1S/C24H26N6O2/c1-4-17-7-6-8-18(13-17)27-23-19-14-21(22(32-3)15-20(19)25-16-26-23)28-24(31)30-11-9-29(5-2)10-12-30/h1,6-8,13-16H,5,9-12H2,2-3H3,(H,28,31)(H,25,26,27)
InChIKeyDQAZPZIYEOGZAF-UHFFFAOYSA-N
XLogP3.53
TPSA82.62 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500430.51
LogP ≤ 53.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze 4-ethyl-N-[4-(3-ethynylanilino)-7-methoxyquinazolin-6-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

Related Compounds

Dacomitinib
CID 11511120
Canertinib
CID 156414
Canertinib Dihydrochloride
CID 156413
Unii-M8R6eta52F
CID 56933206
1-Piperazinecarboxamide, 4-(4-amino-6,7-dimethoxy-2-quinazolinyl)-N-phenyl-
CID 3061443
N-(4-((3-Chloro-4-fluorophenyl)amino)-7-(prop-2-yn-1-yloxy)quinazolin-6-yl)acrylamide
CID 74766095
N-(4-(3-chloro-4-fluoroanilino)-7-methoxy-6-quinazolinyl)-4-(1-piperidinyl)-2-butenamide
CID 57519532
Dacomitinib monohydrate
CID 70693519
N-(3-methoxyphenyl)quinazolin-4-amine
CID 712193
Vuf5574
CID 4046493
N-benzyl-7-methoxyquinazolin-4-amine
CID 5328032
7-methoxy-N-phenylquinazolin-4-amine
CID 5328190

Frequently Asked Questions

What is the IUPAC name of 4-ethyl-N-[4-(3-ethynylanilino)-7-methoxyquinazolin-6-yl]piperazine-1-carboxamide?
The IUPAC name of 4-ethyl-N-[4-(3-ethynylanilino)-7-methoxyquinazolin-6-yl]piperazine-1-carboxamide (CID 59142777) is 4-ethyl-N-[4-(3-ethynylanilino)-7-methoxyquinazolin-6-yl]piperazine-1-carboxamide.
What is the SMILES notation for 4-ethyl-N-[4-(3-ethynylanilino)-7-methoxyquinazolin-6-yl]piperazine-1-carboxamide?
The canonical SMILES for 4-ethyl-N-[4-(3-ethynylanilino)-7-methoxyquinazolin-6-yl]piperazine-1-carboxamide is C#Cc1cccc(Nc2ncnc3cc(OC)c(NC(=O)N4CCN(CC)CC4)cc23)c1.
What is the InChIKey of 4-ethyl-N-[4-(3-ethynylanilino)-7-methoxyquinazolin-6-yl]piperazine-1-carboxamide?
The InChIKey is DQAZPZIYEOGZAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26N6O2/c1-4-17-7-6-8-18(13-17)27-23-19-14-21(22(32-3)15-20(19)25-16-26-23)28-24(31)30-11-9-29(5-2)10-12-30/h1,6-8,13-16H,5,9-12H2,2-3H3,(H,28,31)(H,25,26,27).
What are the key properties of 4-ethyl-N-[4-(3-ethynylanilino)-7-methoxyquinazolin-6-yl]piperazine-1-carboxamide?
4-ethyl-N-[4-(3-ethynylanilino)-7-methoxyquinazolin-6-yl]piperazine-1-carboxamide has a molecular weight of 430.51 g/mol, XLogP of 3.53, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethyl-N-[4-(3-ethynylanilino)-7-methoxyquinazolin-6-yl]piperazine-1-carboxamide is sourced from PubChem (CID 59142777), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).