N-(4-fluoro-3-methylphenyl)-7-methoxy-6-(3-morpholin-4-ylpropoxy)-1,2-dihydroquinazolin-4-amine

C23H29FN4O3 — CID 126525514

IUPACN-(4-fluoro-3-methylphenyl)-7-methoxy-6-(3-morpholin-4-ylpropoxy)-1,2-dihydroquinazolin-4-amine
SMILESCOc1cc2c(cc1OCCCN1CCOCC1)C(Nc1ccc(F)c(C)c1)=NCN2
InChIInChI=1S/C23H29FN4O3/c1-16-12-17(4-5-19(16)24)27-23-18-13-22(21(29-2)14-20(18)25-15-26-23)31-9-3-6-28-7-10-30-11-8-28/h4-5,12-14,25H,3,6-11,15H2,1-2H3,(H,26,27)
InChIKeyGJEYAEVLDZYCRU-UHFFFAOYSA-N
MW428.51 g/mol
LogP3.49
Rot. Bonds7

About N-(4-fluoro-3-methylphenyl)-7-methoxy-6-(3-morpholin-4-ylpropoxy)-1,2-dihydroquinazolin-4-amine

N-(4-fluoro-3-methylphenyl)-7-methoxy-6-(3-morpholin-4-ylpropoxy)-1,2-dihydroquinazolin-4-amine (PubChem CID 126525514) has the molecular formula C23H29FN4O3 and a molecular weight of 428.51 g/mol. Its IUPAC name is N-(4-fluoro-3-methylphenyl)-7-methoxy-6-(3-morpholin-4-ylpropoxy)-1,2-dihydroquinazolin-4-amine.

Molecular Properties

Compound NameN-(4-fluoro-3-methylphenyl)-7-methoxy-6-(3-morpholin-4-ylpropoxy)-1,2-dihydroquinazolin-4-amine
PubChem CID126525514
Molecular FormulaC23H29FN4O3
Molecular Weight428.51 g/mol
Exact Mass428.22
IUPAC NameN-(4-fluoro-3-methylphenyl)-7-methoxy-6-(3-morpholin-4-ylpropoxy)-1,2-dihydroquinazolin-4-amine
SMILESCOc1cc2c(cc1OCCCN1CCOCC1)C(Nc1ccc(F)c(C)c1)=NCN2
InChIInChI=1S/C23H29FN4O3/c1-16-12-17(4-5-19(16)24)27-23-18-13-22(21(29-2)14-20(18)25-15-26-23)31-9-3-6-28-7-10-30-11-8-28/h4-5,12-14,25H,3,6-11,15H2,1-2H3,(H,26,27)
InChIKeyGJEYAEVLDZYCRU-UHFFFAOYSA-N
XLogP3.49
TPSA67.35 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500428.51
LogP ≤ 53.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_C(246)', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-(4-fluoro-3-methylphenyl)-7-methoxy-6-(3-morpholin-4-ylpropoxy)-1,2-dihydroquinazolin-4-amine?
The IUPAC name of N-(4-fluoro-3-methylphenyl)-7-methoxy-6-(3-morpholin-4-ylpropoxy)-1,2-dihydroquinazolin-4-amine (CID 126525514) is N-(4-fluoro-3-methylphenyl)-7-methoxy-6-(3-morpholin-4-ylpropoxy)-1,2-dihydroquinazolin-4-amine.
What is the SMILES notation for N-(4-fluoro-3-methylphenyl)-7-methoxy-6-(3-morpholin-4-ylpropoxy)-1,2-dihydroquinazolin-4-amine?
The canonical SMILES for N-(4-fluoro-3-methylphenyl)-7-methoxy-6-(3-morpholin-4-ylpropoxy)-1,2-dihydroquinazolin-4-amine is COc1cc2c(cc1OCCCN1CCOCC1)C(Nc1ccc(F)c(C)c1)=NCN2.
What is the InChIKey of N-(4-fluoro-3-methylphenyl)-7-methoxy-6-(3-morpholin-4-ylpropoxy)-1,2-dihydroquinazolin-4-amine?
The InChIKey is GJEYAEVLDZYCRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H29FN4O3/c1-16-12-17(4-5-19(16)24)27-23-18-13-22(21(29-2)14-20(18)25-15-26-23)31-9-3-6-28-7-10-30-11-8-28/h4-5,12-14,25H,3,6-11,15H2,1-2H3,(H,26,27).
What are the key properties of N-(4-fluoro-3-methylphenyl)-7-methoxy-6-(3-morpholin-4-ylpropoxy)-1,2-dihydroquinazolin-4-amine?
N-(4-fluoro-3-methylphenyl)-7-methoxy-6-(3-morpholin-4-ylpropoxy)-1,2-dihydroquinazolin-4-amine has a molecular weight of 428.51 g/mol, XLogP of 3.49, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-fluoro-3-methylphenyl)-7-methoxy-6-(3-morpholin-4-ylpropoxy)-1,2-dihydroquinazolin-4-amine is sourced from PubChem (CID 126525514), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).