7-methoxy-N-(4-morpholin-4-ylphenyl)-8-propan-2-ylquinazolin-2-amine

C22H26N4O2 — CID 5330309

IUPAC7-methoxy-N-(4-morpholin-4-ylphenyl)-8-propan-2-ylquinazolin-2-amine
SMILESCOc1ccc2cnc(Nc3ccc(N4CCOCC4)cc3)nc2c1C(C)C
InChIInChI=1S/C22H26N4O2/c1-15(2)20-19(27-3)9-4-16-14-23-22(25-21(16)20)24-17-5-7-18(8-6-17)26-10-12-28-13-11-26/h4-9,14-15H,10-13H2,1-3H3,(H,23,24,25)
InChIKeyRKYDSXIHJWMQGP-UHFFFAOYSA-N
MW378.48 g/mol
LogP4.34
Rot. Bonds5

About 7-methoxy-N-(4-morpholin-4-ylphenyl)-8-propan-2-ylquinazolin-2-amine

7-methoxy-N-(4-morpholin-4-ylphenyl)-8-propan-2-ylquinazolin-2-amine (PubChem CID 5330309) has the molecular formula C22H26N4O2 and a molecular weight of 378.48 g/mol. Its IUPAC name is 7-methoxy-N-(4-morpholin-4-ylphenyl)-8-propan-2-ylquinazolin-2-amine.

Molecular Properties

Compound Name7-methoxy-N-(4-morpholin-4-ylphenyl)-8-propan-2-ylquinazolin-2-amine
PubChem CID5330309
Molecular FormulaC22H26N4O2
Molecular Weight378.48 g/mol
Exact Mass378.21
IUPAC Name7-methoxy-N-(4-morpholin-4-ylphenyl)-8-propan-2-ylquinazolin-2-amine
SMILESCOc1ccc2cnc(Nc3ccc(N4CCOCC4)cc3)nc2c1C(C)C
InChIInChI=1S/C22H26N4O2/c1-15(2)20-19(27-3)9-4-16-14-23-22(25-21(16)20)24-17-5-7-18(8-6-17)26-10-12-28-13-11-26/h4-9,14-15H,10-13H2,1-3H3,(H,23,24,25)
InChIKeyRKYDSXIHJWMQGP-UHFFFAOYSA-N
XLogP4.34
TPSA59.51 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.48
LogP ≤ 54.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 7-methoxy-N-(4-morpholin-4-ylphenyl)-8-propan-2-ylquinazolin-2-amine?
The IUPAC name of 7-methoxy-N-(4-morpholin-4-ylphenyl)-8-propan-2-ylquinazolin-2-amine (CID 5330309) is 7-methoxy-N-(4-morpholin-4-ylphenyl)-8-propan-2-ylquinazolin-2-amine.
What is the SMILES notation for 7-methoxy-N-(4-morpholin-4-ylphenyl)-8-propan-2-ylquinazolin-2-amine?
The canonical SMILES for 7-methoxy-N-(4-morpholin-4-ylphenyl)-8-propan-2-ylquinazolin-2-amine is COc1ccc2cnc(Nc3ccc(N4CCOCC4)cc3)nc2c1C(C)C.
What is the InChIKey of 7-methoxy-N-(4-morpholin-4-ylphenyl)-8-propan-2-ylquinazolin-2-amine?
The InChIKey is RKYDSXIHJWMQGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26N4O2/c1-15(2)20-19(27-3)9-4-16-14-23-22(25-21(16)20)24-17-5-7-18(8-6-17)26-10-12-28-13-11-26/h4-9,14-15H,10-13H2,1-3H3,(H,23,24,25).
What are the key properties of 7-methoxy-N-(4-morpholin-4-ylphenyl)-8-propan-2-ylquinazolin-2-amine?
7-methoxy-N-(4-morpholin-4-ylphenyl)-8-propan-2-ylquinazolin-2-amine has a molecular weight of 378.48 g/mol, XLogP of 4.34, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 7-methoxy-N-(4-morpholin-4-ylphenyl)-8-propan-2-ylquinazolin-2-amine is sourced from PubChem (CID 5330309), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).