5-(3-morpholin-4-ylpropoxy)-N-phenylquinazolin-2-amine

C21H24N4O2 — CID 174464455

IUPAC5-(3-morpholin-4-ylpropoxy)-N-phenylquinazolin-2-amine
SMILESc1ccc(Nc2ncc3c(OCCCN4CCOCC4)cccc3n2)cc1
InChIInChI=1S/C21H24N4O2/c1-2-6-17(7-3-1)23-21-22-16-18-19(24-21)8-4-9-20(18)27-13-5-10-25-11-14-26-15-12-25/h1-4,6-9,16H,5,10-15H2,(H,22,23,24)
InChIKeyHEOSVZKALKCTGR-UHFFFAOYSA-N
MW364.45 g/mol
LogP3.47
Rot. Bonds7

About 5-(3-morpholin-4-ylpropoxy)-N-phenylquinazolin-2-amine

5-(3-morpholin-4-ylpropoxy)-N-phenylquinazolin-2-amine (PubChem CID 174464455) has the molecular formula C21H24N4O2 and a molecular weight of 364.45 g/mol. Its IUPAC name is 5-(3-morpholin-4-ylpropoxy)-N-phenylquinazolin-2-amine.

Molecular Properties

Compound Name5-(3-morpholin-4-ylpropoxy)-N-phenylquinazolin-2-amine
PubChem CID174464455
Molecular FormulaC21H24N4O2
Molecular Weight364.45 g/mol
Exact Mass364.19
IUPAC Name5-(3-morpholin-4-ylpropoxy)-N-phenylquinazolin-2-amine
SMILESc1ccc(Nc2ncc3c(OCCCN4CCOCC4)cccc3n2)cc1
InChIInChI=1S/C21H24N4O2/c1-2-6-17(7-3-1)23-21-22-16-18-19(24-21)8-4-9-20(18)27-13-5-10-25-11-14-26-15-12-25/h1-4,6-9,16H,5,10-15H2,(H,22,23,24)
InChIKeyHEOSVZKALKCTGR-UHFFFAOYSA-N
XLogP3.47
TPSA59.51 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.45
LogP ≤ 53.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

4-(3-benzo[a]phenazin-5-yloxypropyl)morpholine
CID 71722358
4-[3-[2-(3-morpholin-4-ylpropoxy)phenyl]propyl]morpholine
CID 170869645
N-[3-(2-morpholin-4-ylethoxy)phenyl]pyrimidin-2-amine
CID 68650109
4-[3-(2-nitrophenoxy)propyl]morpholine
CID 2232477
2-(4-morpholin-4-ylbutoxy)phenol
CID 10214621
11-(3-morpholin-4-ylpropoxy)-[1]benzofuro[3,2-b]quinoline
CID 171933673
2-N-(4-chlorophenyl)-4-N-(2-morpholin-4-ylethyl)quinazoline-2,4-diamine
CID 164613491
7-methoxy-6-(3-morpholin-4-ylpropoxy)-N-pyridin-3-ylquinazolin-4-amine
CID 151014604
2-(8-morpholin-4-yloctoxy)phenol
CID 10193177
2-(6-morpholin-4-ylhexoxy)phenol
CID 10149383
4-N-(3-methylphenyl)-7-(3-morpholin-4-ylpropoxy)quinazoline-4,6-diamine
CID 10834412
4-[4-(2-butoxyphenoxy)butyl]morpholine;hydrochloride
CID 2993517

Frequently Asked Questions

What is the IUPAC name of 5-(3-morpholin-4-ylpropoxy)-N-phenylquinazolin-2-amine?
The IUPAC name of 5-(3-morpholin-4-ylpropoxy)-N-phenylquinazolin-2-amine (CID 174464455) is 5-(3-morpholin-4-ylpropoxy)-N-phenylquinazolin-2-amine.
What is the SMILES notation for 5-(3-morpholin-4-ylpropoxy)-N-phenylquinazolin-2-amine?
The canonical SMILES for 5-(3-morpholin-4-ylpropoxy)-N-phenylquinazolin-2-amine is c1ccc(Nc2ncc3c(OCCCN4CCOCC4)cccc3n2)cc1.
What is the InChIKey of 5-(3-morpholin-4-ylpropoxy)-N-phenylquinazolin-2-amine?
The InChIKey is HEOSVZKALKCTGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N4O2/c1-2-6-17(7-3-1)23-21-22-16-18-19(24-21)8-4-9-20(18)27-13-5-10-25-11-14-26-15-12-25/h1-4,6-9,16H,5,10-15H2,(H,22,23,24).
What are the key properties of 5-(3-morpholin-4-ylpropoxy)-N-phenylquinazolin-2-amine?
5-(3-morpholin-4-ylpropoxy)-N-phenylquinazolin-2-amine has a molecular weight of 364.45 g/mol, XLogP of 3.47, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3-morpholin-4-ylpropoxy)-N-phenylquinazolin-2-amine is sourced from PubChem (CID 174464455), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).