N-(2,5-diethoxy-4-morpholin-4-ylphenyl)-2-propan-2-ylquinazolin-4-amine

C25H32N4O3 — CID 21003902

IUPACN-(2,5-diethoxy-4-morpholin-4-ylphenyl)-2-propan-2-ylquinazolin-4-amine
SMILESCCOc1cc(N2CCOCC2)c(OCC)cc1Nc1nc(C(C)C)nc2ccccc12
InChIInChI=1S/C25H32N4O3/c1-5-31-22-16-21(29-11-13-30-14-12-29)23(32-6-2)15-20(22)27-25-18-9-7-8-10-19(18)26-24(28-25)17(3)4/h7-10,15-17H,5-6,11-14H2,1-4H3,(H,26,27,28)
InChIKeyUZRWSFCHFDNWJA-UHFFFAOYSA-N
MW436.56 g/mol
LogP5.13
Rot. Bonds8

About N-(2,5-diethoxy-4-morpholin-4-ylphenyl)-2-propan-2-ylquinazolin-4-amine

N-(2,5-diethoxy-4-morpholin-4-ylphenyl)-2-propan-2-ylquinazolin-4-amine (PubChem CID 21003902) has the molecular formula C25H32N4O3 and a molecular weight of 436.56 g/mol. Its IUPAC name is N-(2,5-diethoxy-4-morpholin-4-ylphenyl)-2-propan-2-ylquinazolin-4-amine.

Molecular Properties

Compound NameN-(2,5-diethoxy-4-morpholin-4-ylphenyl)-2-propan-2-ylquinazolin-4-amine
PubChem CID21003902
Molecular FormulaC25H32N4O3
Molecular Weight436.56 g/mol
Exact Mass436.25
IUPAC NameN-(2,5-diethoxy-4-morpholin-4-ylphenyl)-2-propan-2-ylquinazolin-4-amine
SMILESCCOc1cc(N2CCOCC2)c(OCC)cc1Nc1nc(C(C)C)nc2ccccc12
InChIInChI=1S/C25H32N4O3/c1-5-31-22-16-21(29-11-13-30-14-12-29)23(32-6-2)15-20(22)27-25-18-9-7-8-10-19(18)26-24(28-25)17(3)4/h7-10,15-17H,5-6,11-14H2,1-4H3,(H,26,27,28)
InChIKeyUZRWSFCHFDNWJA-UHFFFAOYSA-N
XLogP5.13
TPSA68.74 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500436.56
LogP ≤ 55.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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 N-(2,5-diethoxy-4-morpholin-4-ylphenyl)-2-propan-2-ylquinazolin-4-amine?
The IUPAC name of N-(2,5-diethoxy-4-morpholin-4-ylphenyl)-2-propan-2-ylquinazolin-4-amine (CID 21003902) is N-(2,5-diethoxy-4-morpholin-4-ylphenyl)-2-propan-2-ylquinazolin-4-amine.
What is the SMILES notation for N-(2,5-diethoxy-4-morpholin-4-ylphenyl)-2-propan-2-ylquinazolin-4-amine?
The canonical SMILES for N-(2,5-diethoxy-4-morpholin-4-ylphenyl)-2-propan-2-ylquinazolin-4-amine is CCOc1cc(N2CCOCC2)c(OCC)cc1Nc1nc(C(C)C)nc2ccccc12.
What is the InChIKey of N-(2,5-diethoxy-4-morpholin-4-ylphenyl)-2-propan-2-ylquinazolin-4-amine?
The InChIKey is UZRWSFCHFDNWJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H32N4O3/c1-5-31-22-16-21(29-11-13-30-14-12-29)23(32-6-2)15-20(22)27-25-18-9-7-8-10-19(18)26-24(28-25)17(3)4/h7-10,15-17H,5-6,11-14H2,1-4H3,(H,26,27,28).
What are the key properties of N-(2,5-diethoxy-4-morpholin-4-ylphenyl)-2-propan-2-ylquinazolin-4-amine?
N-(2,5-diethoxy-4-morpholin-4-ylphenyl)-2-propan-2-ylquinazolin-4-amine has a molecular weight of 436.56 g/mol, XLogP of 5.13, 8 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,5-diethoxy-4-morpholin-4-ylphenyl)-2-propan-2-ylquinazolin-4-amine is sourced from PubChem (CID 21003902), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).