N-[4-[3-chloro-4-(3-methylphenoxy)anilino]quinazolin-6-yl]-2-morpholin-4-ylacetamide

C27H26ClN5O3 — CID 162674719

IUPACN-[4-[3-chloro-4-(3-methylphenoxy)anilino]quinazolin-6-yl]-2-morpholin-4-ylacetamide
SMILESCc1cccc(Oc2ccc(Nc3ncnc4ccc(NC(=O)CN5CCOCC5)cc34)cc2Cl)c1
InChIInChI=1S/C27H26ClN5O3/c1-18-3-2-4-21(13-18)36-25-8-6-20(15-23(25)28)32-27-22-14-19(5-7-24(22)29-17-30-27)31-26(34)16-33-9-11-35-12-10-33/h2-8,13-15,17H,9-12,16H2,1H3,(H,31,34)(H,29,30,32)
InChIKeyTVJRJIIJZXNSJC-UHFFFAOYSA-N
MW503.99 g/mol
LogP5.40
Rot. Bonds7

About N-[4-[3-chloro-4-(3-methylphenoxy)anilino]quinazolin-6-yl]-2-morpholin-4-ylacetamide

N-[4-[3-chloro-4-(3-methylphenoxy)anilino]quinazolin-6-yl]-2-morpholin-4-ylacetamide (PubChem CID 162674719) has the molecular formula C27H26ClN5O3 and a molecular weight of 503.99 g/mol. Its IUPAC name is N-[4-[3-chloro-4-(3-methylphenoxy)anilino]quinazolin-6-yl]-2-morpholin-4-ylacetamide.

Molecular Properties

Compound NameN-[4-[3-chloro-4-(3-methylphenoxy)anilino]quinazolin-6-yl]-2-morpholin-4-ylacetamide
PubChem CID162674719
Molecular FormulaC27H26ClN5O3
Molecular Weight503.99 g/mol
Exact Mass503.17
IUPAC NameN-[4-[3-chloro-4-(3-methylphenoxy)anilino]quinazolin-6-yl]-2-morpholin-4-ylacetamide
SMILESCc1cccc(Oc2ccc(Nc3ncnc4ccc(NC(=O)CN5CCOCC5)cc34)cc2Cl)c1
InChIInChI=1S/C27H26ClN5O3/c1-18-3-2-4-21(13-18)36-25-8-6-20(15-23(25)28)32-27-22-14-19(5-7-24(22)29-17-30-27)31-26(34)16-33-9-11-35-12-10-33/h2-8,13-15,17H,9-12,16H2,1H3,(H,31,34)(H,29,30,32)
InChIKeyTVJRJIIJZXNSJC-UHFFFAOYSA-N
XLogP5.40
TPSA88.61 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms36
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500503.99
LogP ≤ 55.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze N-[4-[3-chloro-4-(3-methylphenoxy)anilino]quinazolin-6-yl]-2-morpholin-4-ylacetamide with MolForge

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Related Compounds

N-[4-[3-chloro-4-[(3-fluorophenyl)methoxy]anilino]quinazolin-6-yl]-3-[(2-morpholin-4-ylacetyl)amino]propanamide
CID 11657235
N-[4-(3-methylanilino)quinazolin-6-yl]-2-(4-methyl-1,4-diazepan-1-yl)acetamide
CID 143921739
N-[4-[3-chloro-4-[(3-fluorophenyl)methoxy]anilino]quinazolin-6-yl]-3-[[2-(4-methylpiperazin-1-yl)acetyl]amino]propanamide
CID 11650159
N-(3-chloro-4-isoquinolin-8-yloxyphenyl)-6-[(E)-3-morpholin-4-ylprop-1-enyl]quinazolin-4-amine
CID 169222954
N-[4-[3-chloro-4-(furan-2-ylmethoxy)anilino]quinazolin-6-yl]-4,4-difluoro-8-morpholin-4-yloct-2-enamide
CID 54008878
tert-butyl 3-[2-methyl-4-[(6-morpholin-4-ylpyrido[3,4-d]pyrimidin-4-yl)amino]phenoxy]benzoate
CID 11398170
N-[3-chloro-4-[(3-fluorophenyl)methoxy]phenyl]-6-(3-morpholin-4-ylpropoxy)quinazolin-4-amine
CID 24737854
1-[3-[4-[(6,7-dimethoxyquinazolin-4-yl)amino]-2-methylphenoxy]phenyl]-2-piperidin-1-ylethanone
CID 69051856
N-[4-(3-chloro-4-fluoroanilino)quinazolin-6-yl]-4,4-difluoro-7-morpholin-4-ylhept-2-enamide
CID 54292327
N-[4-(3-chloro-4-pyridin-2-yloxyanilino)pyrido[3,4-d]pyrimidin-6-yl]-7-morpholin-4-ylhept-2-ynamide
CID 18535775
N-(4-isoquinolin-5-yloxy-3-methylphenyl)-6-(2-morpholin-4-ylethoxy)quinazolin-4-amine
CID 169223003
N-[4-(3-ethynylanilino)quinazolin-6-yl]-2-(4-heptan-4-ylpiperazin-1-yl)acetamide
CID 44599638

Frequently Asked Questions

What is the IUPAC name of N-[4-[3-chloro-4-(3-methylphenoxy)anilino]quinazolin-6-yl]-2-morpholin-4-ylacetamide?
The IUPAC name of N-[4-[3-chloro-4-(3-methylphenoxy)anilino]quinazolin-6-yl]-2-morpholin-4-ylacetamide (CID 162674719) is N-[4-[3-chloro-4-(3-methylphenoxy)anilino]quinazolin-6-yl]-2-morpholin-4-ylacetamide.
What is the SMILES notation for N-[4-[3-chloro-4-(3-methylphenoxy)anilino]quinazolin-6-yl]-2-morpholin-4-ylacetamide?
The canonical SMILES for N-[4-[3-chloro-4-(3-methylphenoxy)anilino]quinazolin-6-yl]-2-morpholin-4-ylacetamide is Cc1cccc(Oc2ccc(Nc3ncnc4ccc(NC(=O)CN5CCOCC5)cc34)cc2Cl)c1.
What is the InChIKey of N-[4-[3-chloro-4-(3-methylphenoxy)anilino]quinazolin-6-yl]-2-morpholin-4-ylacetamide?
The InChIKey is TVJRJIIJZXNSJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H26ClN5O3/c1-18-3-2-4-21(13-18)36-25-8-6-20(15-23(25)28)32-27-22-14-19(5-7-24(22)29-17-30-27)31-26(34)16-33-9-11-35-12-10-33/h2-8,13-15,17H,9-12,16H2,1H3,(H,31,34)(H,29,30,32).
What are the key properties of N-[4-[3-chloro-4-(3-methylphenoxy)anilino]quinazolin-6-yl]-2-morpholin-4-ylacetamide?
N-[4-[3-chloro-4-(3-methylphenoxy)anilino]quinazolin-6-yl]-2-morpholin-4-ylacetamide has a molecular weight of 503.99 g/mol, XLogP of 5.40, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[3-chloro-4-(3-methylphenoxy)anilino]quinazolin-6-yl]-2-morpholin-4-ylacetamide is sourced from PubChem (CID 162674719), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).