N-(3,4-dichlorophenyl)-7-methoxy-6-(3-morpholin-4-ylpropoxy)quinazolin-4-amine

C22H24Cl2N4O3 — CID 74937126

IUPACN-(3,4-dichlorophenyl)-7-methoxy-6-(3-morpholin-4-ylpropoxy)quinazolin-4-amine
SMILESCOc1cc2ncnc(Nc3ccc(Cl)c(Cl)c3)c2cc1OCCCN1CCOCC1
InChIInChI=1S/C22H24Cl2N4O3/c1-29-20-13-19-16(12-21(20)31-8-2-5-28-6-9-30-10-7-28)22(26-14-25-19)27-15-3-4-17(23)18(24)11-15/h3-4,11-14H,2,5-10H2,1H3,(H,25,26,27)
InChIKeyVSKQQUAAWOVMOQ-UHFFFAOYSA-N
MW463.37 g/mol
LogP4.79
Rot. Bonds8

About N-(3,4-dichlorophenyl)-7-methoxy-6-(3-morpholin-4-ylpropoxy)quinazolin-4-amine

N-(3,4-dichlorophenyl)-7-methoxy-6-(3-morpholin-4-ylpropoxy)quinazolin-4-amine (PubChem CID 74937126) has the molecular formula C22H24Cl2N4O3 and a molecular weight of 463.37 g/mol. Its IUPAC name is N-(3,4-dichlorophenyl)-7-methoxy-6-(3-morpholin-4-ylpropoxy)quinazolin-4-amine.

Molecular Properties

Compound NameN-(3,4-dichlorophenyl)-7-methoxy-6-(3-morpholin-4-ylpropoxy)quinazolin-4-amine
PubChem CID74937126
Molecular FormulaC22H24Cl2N4O3
Molecular Weight463.37 g/mol
Exact Mass462.12
IUPAC NameN-(3,4-dichlorophenyl)-7-methoxy-6-(3-morpholin-4-ylpropoxy)quinazolin-4-amine
SMILESCOc1cc2ncnc(Nc3ccc(Cl)c(Cl)c3)c2cc1OCCCN1CCOCC1
InChIInChI=1S/C22H24Cl2N4O3/c1-29-20-13-19-16(12-21(20)31-8-2-5-28-6-9-30-10-7-28)22(26-14-25-19)27-15-3-4-17(23)18(24)11-15/h3-4,11-14H,2,5-10H2,1H3,(H,25,26,27)
InChIKeyVSKQQUAAWOVMOQ-UHFFFAOYSA-N
XLogP4.79
TPSA68.74 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500463.37
LogP ≤ 54.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-(3,4-dichlorophenyl)-7-methoxy-6-(3-morpholin-4-ylpropoxy)quinazolin-4-amine?
The IUPAC name of N-(3,4-dichlorophenyl)-7-methoxy-6-(3-morpholin-4-ylpropoxy)quinazolin-4-amine (CID 74937126) is N-(3,4-dichlorophenyl)-7-methoxy-6-(3-morpholin-4-ylpropoxy)quinazolin-4-amine.
What is the SMILES notation for N-(3,4-dichlorophenyl)-7-methoxy-6-(3-morpholin-4-ylpropoxy)quinazolin-4-amine?
The canonical SMILES for N-(3,4-dichlorophenyl)-7-methoxy-6-(3-morpholin-4-ylpropoxy)quinazolin-4-amine is COc1cc2ncnc(Nc3ccc(Cl)c(Cl)c3)c2cc1OCCCN1CCOCC1.
What is the InChIKey of N-(3,4-dichlorophenyl)-7-methoxy-6-(3-morpholin-4-ylpropoxy)quinazolin-4-amine?
The InChIKey is VSKQQUAAWOVMOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24Cl2N4O3/c1-29-20-13-19-16(12-21(20)31-8-2-5-28-6-9-30-10-7-28)22(26-14-25-19)27-15-3-4-17(23)18(24)11-15/h3-4,11-14H,2,5-10H2,1H3,(H,25,26,27).
What are the key properties of N-(3,4-dichlorophenyl)-7-methoxy-6-(3-morpholin-4-ylpropoxy)quinazolin-4-amine?
N-(3,4-dichlorophenyl)-7-methoxy-6-(3-morpholin-4-ylpropoxy)quinazolin-4-amine has a molecular weight of 463.37 g/mol, XLogP of 4.79, 8 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,4-dichlorophenyl)-7-methoxy-6-(3-morpholin-4-ylpropoxy)quinazolin-4-amine is sourced from PubChem (CID 74937126), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).