5-chloro-8-[2-(ethylamino)ethoxy]-N-(4-morpholin-4-ylphenyl)quinazolin-2-amine

C22H26ClN5O2 — CID 70920891

IUPAC5-chloro-8-[2-(ethylamino)ethoxy]-N-(4-morpholin-4-ylphenyl)quinazolin-2-amine
SMILESCCNCCOc1ccc(Cl)c2cnc(Nc3ccc(N4CCOCC4)cc3)nc12
InChIInChI=1S/C22H26ClN5O2/c1-2-24-9-12-30-20-8-7-19(23)18-15-25-22(27-21(18)20)26-16-3-5-17(6-4-16)28-10-13-29-14-11-28/h3-8,15,24H,2,9-14H2,1H3,(H,25,26,27)
InChIKeyOGPCLIUENAVWOA-UHFFFAOYSA-N
MW427.94 g/mol
LogP3.85
Rot. Bonds8

About 5-chloro-8-[2-(ethylamino)ethoxy]-N-(4-morpholin-4-ylphenyl)quinazolin-2-amine

5-chloro-8-[2-(ethylamino)ethoxy]-N-(4-morpholin-4-ylphenyl)quinazolin-2-amine (PubChem CID 70920891) has the molecular formula C22H26ClN5O2 and a molecular weight of 427.94 g/mol. Its IUPAC name is 5-chloro-8-[2-(ethylamino)ethoxy]-N-(4-morpholin-4-ylphenyl)quinazolin-2-amine.

Molecular Properties

Compound Name5-chloro-8-[2-(ethylamino)ethoxy]-N-(4-morpholin-4-ylphenyl)quinazolin-2-amine
PubChem CID70920891
Molecular FormulaC22H26ClN5O2
Molecular Weight427.94 g/mol
Exact Mass427.18
IUPAC Name5-chloro-8-[2-(ethylamino)ethoxy]-N-(4-morpholin-4-ylphenyl)quinazolin-2-amine
SMILESCCNCCOc1ccc(Cl)c2cnc(Nc3ccc(N4CCOCC4)cc3)nc12
InChIInChI=1S/C22H26ClN5O2/c1-2-24-9-12-30-20-8-7-19(23)18-15-25-22(27-21(18)20)26-16-3-5-17(6-4-16)28-10-13-29-14-11-28/h3-8,15,24H,2,9-14H2,1H3,(H,25,26,27)
InChIKeyOGPCLIUENAVWOA-UHFFFAOYSA-N
XLogP3.85
TPSA71.54 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500427.94
LogP ≤ 53.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

8-(3-Dimethylaminopropoxy)-2-[(2-methylphenyl)amino]-4-(N-methylphenylamino)quinazoline
CID 10003444
N-[2-(4-aminopiperidin-1-yl)-4-methylquinazolin-6-yl]-2-(4-chlorophenoxy)acetamide
CID 11553648
(16E)-14-methyl-11-morpholin-4-yl-20-oxa-5,7,14,27-tetrazatetracyclo[19.3.1.12,6.18,12]heptacosa-1(25),2(27),3,5,8(26),9,11,16,21,23-decaene
CID 16739839
N-[3-chloro-4-[(3-fluorophenyl)methoxy]phenyl]-6-(3-morpholin-4-ylpropoxy)quinazolin-4-amine
CID 24737854
8-(3,5-Dichloro-pyridin-4-ylmethoxy)-4-imidazol-1-yl-2-methyl-quinoline
CID 44191138
8-(3,5-Dichloro-pyridin-4-ylmethoxy)-2-methyl-4-(2-methyl-imidazol-1-yl)-quinoline
CID 44191220
N-(3-chloro-4-fluorophenyl)-7,8-dihydro-6H-pyrimido[5,4-g][1,4]benzoxazin-4-amine
CID 73346557
2-N-[3-[(7-chloroquinolin-4-yl)amino]propyl]-4-N-(4-methoxyphenyl)pyrimidine-2,4-diamine
CID 117826054
2-N-[4-[(7-chloroquinolin-4-yl)amino]butyl]-4-N-(4-methoxyphenyl)pyrimidine-2,4-diamine
CID 117827310
1-[6-[(2-Chlorophenyl)methoxy]quinazolin-7-yl]-3-(3,4-dichlorophenyl)urea
CID 122195814
5-Chloro-8-(imidazo[1,2-a]pyrimidin-2-ylmethoxy)quinoline
CID 2997964
2-(4-chlorophenoxy)-N-(4-methyl-2-piperidin-1-ylquinazolin-6-yl)acetamide
CID 70687471

Frequently Asked Questions

What is the IUPAC name of 5-chloro-8-[2-(ethylamino)ethoxy]-N-(4-morpholin-4-ylphenyl)quinazolin-2-amine?
The IUPAC name of 5-chloro-8-[2-(ethylamino)ethoxy]-N-(4-morpholin-4-ylphenyl)quinazolin-2-amine (CID 70920891) is 5-chloro-8-[2-(ethylamino)ethoxy]-N-(4-morpholin-4-ylphenyl)quinazolin-2-amine.
What is the SMILES notation for 5-chloro-8-[2-(ethylamino)ethoxy]-N-(4-morpholin-4-ylphenyl)quinazolin-2-amine?
The canonical SMILES for 5-chloro-8-[2-(ethylamino)ethoxy]-N-(4-morpholin-4-ylphenyl)quinazolin-2-amine is CCNCCOc1ccc(Cl)c2cnc(Nc3ccc(N4CCOCC4)cc3)nc12.
What is the InChIKey of 5-chloro-8-[2-(ethylamino)ethoxy]-N-(4-morpholin-4-ylphenyl)quinazolin-2-amine?
The InChIKey is OGPCLIUENAVWOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26ClN5O2/c1-2-24-9-12-30-20-8-7-19(23)18-15-25-22(27-21(18)20)26-16-3-5-17(6-4-16)28-10-13-29-14-11-28/h3-8,15,24H,2,9-14H2,1H3,(H,25,26,27).
What are the key properties of 5-chloro-8-[2-(ethylamino)ethoxy]-N-(4-morpholin-4-ylphenyl)quinazolin-2-amine?
5-chloro-8-[2-(ethylamino)ethoxy]-N-(4-morpholin-4-ylphenyl)quinazolin-2-amine has a molecular weight of 427.94 g/mol, XLogP of 3.85, 8 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-8-[2-(ethylamino)ethoxy]-N-(4-morpholin-4-ylphenyl)quinazolin-2-amine is sourced from PubChem (CID 70920891), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).