N-[2-[4-[3-chloro-4-[(2-fluorophenyl)methoxy]anilino]quinazolin-5-yl]oxypropyl]-N-methylacetamide

C27H26ClFN4O3 — CID 11156454

IUPACN-[2-[4-[3-chloro-4-[(2-fluorophenyl)methoxy]anilino]quinazolin-5-yl]oxypropyl]-N-methylacetamide
SMILESCC(=O)N(C)CC(C)Oc1cccc2ncnc(Nc3ccc(OCc4ccccc4F)c(Cl)c3)c12
InChIInChI=1S/C27H26ClFN4O3/c1-17(14-33(3)18(2)34)36-25-10-6-9-23-26(25)27(31-16-30-23)32-20-11-12-24(21(28)13-20)35-15-19-7-4-5-8-22(19)29/h4-13,16-17H,14-15H2,1-3H3,(H,30,31,32)
InChIKeyZUAGEVWCLRYTPM-UHFFFAOYSA-N
MW508.98 g/mol
LogP5.99
Rot. Bonds9

About N-[2-[4-[3-chloro-4-[(2-fluorophenyl)methoxy]anilino]quinazolin-5-yl]oxypropyl]-N-methylacetamide

N-[2-[4-[3-chloro-4-[(2-fluorophenyl)methoxy]anilino]quinazolin-5-yl]oxypropyl]-N-methylacetamide (PubChem CID 11156454) has the molecular formula C27H26ClFN4O3 and a molecular weight of 508.98 g/mol. Its IUPAC name is N-[2-[4-[3-chloro-4-[(2-fluorophenyl)methoxy]anilino]quinazolin-5-yl]oxypropyl]-N-methylacetamide.

Molecular Properties

Compound NameN-[2-[4-[3-chloro-4-[(2-fluorophenyl)methoxy]anilino]quinazolin-5-yl]oxypropyl]-N-methylacetamide
PubChem CID11156454
Molecular FormulaC27H26ClFN4O3
Molecular Weight508.98 g/mol
Exact Mass508.17
IUPAC NameN-[2-[4-[3-chloro-4-[(2-fluorophenyl)methoxy]anilino]quinazolin-5-yl]oxypropyl]-N-methylacetamide
SMILESCC(=O)N(C)CC(C)Oc1cccc2ncnc(Nc3ccc(OCc4ccccc4F)c(Cl)c3)c12
InChIInChI=1S/C27H26ClFN4O3/c1-17(14-33(3)18(2)34)36-25-10-6-9-23-26(25)27(31-16-30-23)32-20-11-12-24(21(28)13-20)35-15-19-7-4-5-8-22(19)29/h4-13,16-17H,14-15H2,1-3H3,(H,30,31,32)
InChIKeyZUAGEVWCLRYTPM-UHFFFAOYSA-N
XLogP5.99
TPSA76.58 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms36
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500508.98
LogP ≤ 55.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze N-[2-[4-[3-chloro-4-[(2-fluorophenyl)methoxy]anilino]quinazolin-5-yl]oxypropyl]-N-methylacetamide 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-[3-chloro-4-(pyridin-2-ylmethoxy)phenyl]-5-[(2S)-1-[methyl(prop-2-enyl)amino]propan-2-yl]oxyquinazolin-4-amine
CID 11179336
N-[3-chloro-4-(pyridin-2-ylmethoxy)phenyl]-5-[(2S)-1-[2-methoxyethyl(methyl)amino]propan-2-yl]oxyquinazolin-4-amine
CID 57433318
methyl (2S)-2-[4-[3-chloro-4-(pyridin-2-ylmethoxy)anilino]quinazolin-5-yl]oxypropanoate
CID 86615532
(2R)-2-[4-[3-chloro-4-(pyridin-2-ylmethoxy)anilino]quinazolin-5-yl]oxypropanamide
CID 11568615
N-[3-chloro-4-(pyridin-2-ylmethoxy)phenyl]-5-[(2R)-1-(methylamino)propan-2-yl]oxyquinazolin-4-amine
CID 69055531
(2S)-2-[4-[3-chloro-4-(pyridin-2-ylmethoxy)anilino]quinazolin-5-yl]oxypropanal
CID 87855567
2-[4-[3-chloro-4-(pyridin-2-ylmethoxy)anilino]quinazolin-5-yl]oxy-1-pyrrolidin-1-ylpropan-1-one
CID 69491523
N-[2-[4-[3-chloro-4-(pyridin-2-ylmethoxy)anilino]quinazolin-5-yl]oxyethyl]-2-(dimethylamino)-N-methylacetamide
CID 11295369
N-[1-[4-[3-chloro-4-(pyridin-2-ylmethoxy)anilino]quinazolin-5-yl]oxypropan-2-yl]-2-hydroxypropanamide
CID 90976975
N-[(2S)-1-[4-[3-chloro-4-(pyridin-2-ylmethoxy)anilino]quinazolin-5-yl]oxypropan-2-yl]-2-methoxypropanamide
CID 90958915
5-[(2R)-2-aminopropoxy]-N-[3-chloro-4-(pyridin-2-ylmethoxy)phenyl]quinazolin-4-amine
CID 69058267
N-[1-[4-[3-chloro-4-(pyridin-2-ylmethoxy)anilino]quinazolin-5-yl]oxypropan-2-yl]-2-hydroxyacetamide
CID 11294859

Frequently Asked Questions

What is the IUPAC name of N-[2-[4-[3-chloro-4-[(2-fluorophenyl)methoxy]anilino]quinazolin-5-yl]oxypropyl]-N-methylacetamide?
The IUPAC name of N-[2-[4-[3-chloro-4-[(2-fluorophenyl)methoxy]anilino]quinazolin-5-yl]oxypropyl]-N-methylacetamide (CID 11156454) is N-[2-[4-[3-chloro-4-[(2-fluorophenyl)methoxy]anilino]quinazolin-5-yl]oxypropyl]-N-methylacetamide.
What is the SMILES notation for N-[2-[4-[3-chloro-4-[(2-fluorophenyl)methoxy]anilino]quinazolin-5-yl]oxypropyl]-N-methylacetamide?
The canonical SMILES for N-[2-[4-[3-chloro-4-[(2-fluorophenyl)methoxy]anilino]quinazolin-5-yl]oxypropyl]-N-methylacetamide is CC(=O)N(C)CC(C)Oc1cccc2ncnc(Nc3ccc(OCc4ccccc4F)c(Cl)c3)c12.
What is the InChIKey of N-[2-[4-[3-chloro-4-[(2-fluorophenyl)methoxy]anilino]quinazolin-5-yl]oxypropyl]-N-methylacetamide?
The InChIKey is ZUAGEVWCLRYTPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H26ClFN4O3/c1-17(14-33(3)18(2)34)36-25-10-6-9-23-26(25)27(31-16-30-23)32-20-11-12-24(21(28)13-20)35-15-19-7-4-5-8-22(19)29/h4-13,16-17H,14-15H2,1-3H3,(H,30,31,32).
What are the key properties of N-[2-[4-[3-chloro-4-[(2-fluorophenyl)methoxy]anilino]quinazolin-5-yl]oxypropyl]-N-methylacetamide?
N-[2-[4-[3-chloro-4-[(2-fluorophenyl)methoxy]anilino]quinazolin-5-yl]oxypropyl]-N-methylacetamide has a molecular weight of 508.98 g/mol, XLogP of 5.99, 9 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[4-[3-chloro-4-[(2-fluorophenyl)methoxy]anilino]quinazolin-5-yl]oxypropyl]-N-methylacetamide is sourced from PubChem (CID 11156454), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).