N,N-dimethyl-4-[2-(3-methyl-1-benzofuran-2-yl)quinazolin-4-yl]oxybutan-1-amine

C23H25N3O2 — CID 162661472

IUPACN,N-dimethyl-4-[2-(3-methyl-1-benzofuran-2-yl)quinazolin-4-yl]oxybutan-1-amine
SMILESCc1c(-c2nc(OCCCCN(C)C)c3ccccc3n2)oc2ccccc12
InChIInChI=1S/C23H25N3O2/c1-16-17-10-5-7-13-20(17)28-21(16)22-24-19-12-6-4-11-18(19)23(25-22)27-15-9-8-14-26(2)3/h4-7,10-13H,8-9,14-15H2,1-3H3
InChIKeyYGOSVHVOUJEXOK-UHFFFAOYSA-N
MW375.47 g/mol
LogP5.07
Rot. Bonds7

About N,N-dimethyl-4-[2-(3-methyl-1-benzofuran-2-yl)quinazolin-4-yl]oxybutan-1-amine

N,N-dimethyl-4-[2-(3-methyl-1-benzofuran-2-yl)quinazolin-4-yl]oxybutan-1-amine (PubChem CID 162661472) has the molecular formula C23H25N3O2 and a molecular weight of 375.47 g/mol. Its IUPAC name is N,N-dimethyl-4-[2-(3-methyl-1-benzofuran-2-yl)quinazolin-4-yl]oxybutan-1-amine.

Molecular Properties

Compound NameN,N-dimethyl-4-[2-(3-methyl-1-benzofuran-2-yl)quinazolin-4-yl]oxybutan-1-amine
PubChem CID162661472
Molecular FormulaC23H25N3O2
Molecular Weight375.47 g/mol
Exact Mass375.19
IUPAC NameN,N-dimethyl-4-[2-(3-methyl-1-benzofuran-2-yl)quinazolin-4-yl]oxybutan-1-amine
SMILESCc1c(-c2nc(OCCCCN(C)C)c3ccccc3n2)oc2ccccc12
InChIInChI=1S/C23H25N3O2/c1-16-17-10-5-7-13-20(17)28-21(16)22-24-19-12-6-4-11-18(19)23(25-22)27-15-9-8-14-26(2)3/h4-7,10-13H,8-9,14-15H2,1-3H3
InChIKeyYGOSVHVOUJEXOK-UHFFFAOYSA-N
XLogP5.07
TPSA51.39 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500375.47
LogP ≤ 55.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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,N-dimethyl-4-[2-(3-methyl-1-benzofuran-2-yl)quinazolin-4-yl]oxybutan-1-amine?
The IUPAC name of N,N-dimethyl-4-[2-(3-methyl-1-benzofuran-2-yl)quinazolin-4-yl]oxybutan-1-amine (CID 162661472) is N,N-dimethyl-4-[2-(3-methyl-1-benzofuran-2-yl)quinazolin-4-yl]oxybutan-1-amine.
What is the SMILES notation for N,N-dimethyl-4-[2-(3-methyl-1-benzofuran-2-yl)quinazolin-4-yl]oxybutan-1-amine?
The canonical SMILES for N,N-dimethyl-4-[2-(3-methyl-1-benzofuran-2-yl)quinazolin-4-yl]oxybutan-1-amine is Cc1c(-c2nc(OCCCCN(C)C)c3ccccc3n2)oc2ccccc12.
What is the InChIKey of N,N-dimethyl-4-[2-(3-methyl-1-benzofuran-2-yl)quinazolin-4-yl]oxybutan-1-amine?
The InChIKey is YGOSVHVOUJEXOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25N3O2/c1-16-17-10-5-7-13-20(17)28-21(16)22-24-19-12-6-4-11-18(19)23(25-22)27-15-9-8-14-26(2)3/h4-7,10-13H,8-9,14-15H2,1-3H3.
What are the key properties of N,N-dimethyl-4-[2-(3-methyl-1-benzofuran-2-yl)quinazolin-4-yl]oxybutan-1-amine?
N,N-dimethyl-4-[2-(3-methyl-1-benzofuran-2-yl)quinazolin-4-yl]oxybutan-1-amine has a molecular weight of 375.47 g/mol, XLogP of 5.07, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-4-[2-(3-methyl-1-benzofuran-2-yl)quinazolin-4-yl]oxybutan-1-amine is sourced from PubChem (CID 162661472), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).