7-[4-(dimethylamino)butoxy]-N-(4-phenoxyphenyl)quinazolin-4-amine

C26H28N4O2 — CID 54254112

IUPAC7-[4-(dimethylamino)butoxy]-N-(4-phenoxyphenyl)quinazolin-4-amine
SMILESCN(C)CCCCOc1ccc2c(Nc3ccc(Oc4ccccc4)cc3)ncnc2c1
InChIInChI=1S/C26H28N4O2/c1-30(2)16-6-7-17-31-23-14-15-24-25(18-23)27-19-28-26(24)29-20-10-12-22(13-11-20)32-21-8-4-3-5-9-21/h3-5,8-15,18-19H,6-7,16-17H2,1-2H3,(H,27,28,29)
InChIKeyGXBKAJXFUBJHBB-UHFFFAOYSA-N
MW428.54 g/mol
LogP5.89
Rot. Bonds10

About 7-[4-(dimethylamino)butoxy]-N-(4-phenoxyphenyl)quinazolin-4-amine

7-[4-(dimethylamino)butoxy]-N-(4-phenoxyphenyl)quinazolin-4-amine (PubChem CID 54254112) has the molecular formula C26H28N4O2 and a molecular weight of 428.54 g/mol. Its IUPAC name is 7-[4-(dimethylamino)butoxy]-N-(4-phenoxyphenyl)quinazolin-4-amine.

Molecular Properties

Compound Name7-[4-(dimethylamino)butoxy]-N-(4-phenoxyphenyl)quinazolin-4-amine
PubChem CID54254112
Molecular FormulaC26H28N4O2
Molecular Weight428.54 g/mol
Exact Mass428.22
IUPAC Name7-[4-(dimethylamino)butoxy]-N-(4-phenoxyphenyl)quinazolin-4-amine
SMILESCN(C)CCCCOc1ccc2c(Nc3ccc(Oc4ccccc4)cc3)ncnc2c1
InChIInChI=1S/C26H28N4O2/c1-30(2)16-6-7-17-31-23-14-15-24-25(18-23)27-19-28-26(24)29-20-10-12-22(13-11-20)32-21-8-4-3-5-9-21/h3-5,8-15,18-19H,6-7,16-17H2,1-2H3,(H,27,28,29)
InChIKeyGXBKAJXFUBJHBB-UHFFFAOYSA-N
XLogP5.89
TPSA59.51 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500428.54
LogP ≤ 55.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

N-(3-bromophenyl)-7-[4-(dimethylamino)butoxy]quinazolin-4-amine
CID 140994402
N-[7-[4-(dimethylamino)butoxy]-4-(4-phenylmethoxyanilino)quinazolin-6-yl]prop-2-enamide
CID 18535828
6-iodo-N-(4-phenoxyphenyl)quinazolin-4-amine
CID 54010523
1-[4-[2-[[7-[2-(dimethylamino)ethoxy]quinazolin-4-yl]amino]ethyl]phenyl]-3-phenylurea
CID 59268658
7-(3-morpholin-4-ylpropoxy)-N-(4-phenylmethoxyphenyl)quinazolin-4-amine
CID 54490718
6,7-diethoxy-N-(3-phenoxyphenyl)quinazolin-4-amine
CID 56984561
7-methyl-6-nitro-N-(4-phenoxyphenyl)quinazolin-4-amine
CID 167668769
7-methoxy-N-(3-methoxyphenyl)quinazolin-4-amine
CID 21003078
4-(4-phenylmethoxyanilino)quinazolin-7-ol
CID 135984119
4-N-(4-butoxyphenyl)-6-phenoxypyrimidine-4,5-diamine
CID 19143062
[4-(4-phenylmethoxyanilino)quinazolin-7-yl] acetate
CID 54081990
7-methyl-N-[4-[4-(trifluoromethyl)phenoxy]phenyl]quinazolin-4-amine
CID 155924465

Frequently Asked Questions

What is the IUPAC name of 7-[4-(dimethylamino)butoxy]-N-(4-phenoxyphenyl)quinazolin-4-amine?
The IUPAC name of 7-[4-(dimethylamino)butoxy]-N-(4-phenoxyphenyl)quinazolin-4-amine (CID 54254112) is 7-[4-(dimethylamino)butoxy]-N-(4-phenoxyphenyl)quinazolin-4-amine.
What is the SMILES notation for 7-[4-(dimethylamino)butoxy]-N-(4-phenoxyphenyl)quinazolin-4-amine?
The canonical SMILES for 7-[4-(dimethylamino)butoxy]-N-(4-phenoxyphenyl)quinazolin-4-amine is CN(C)CCCCOc1ccc2c(Nc3ccc(Oc4ccccc4)cc3)ncnc2c1.
What is the InChIKey of 7-[4-(dimethylamino)butoxy]-N-(4-phenoxyphenyl)quinazolin-4-amine?
The InChIKey is GXBKAJXFUBJHBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H28N4O2/c1-30(2)16-6-7-17-31-23-14-15-24-25(18-23)27-19-28-26(24)29-20-10-12-22(13-11-20)32-21-8-4-3-5-9-21/h3-5,8-15,18-19H,6-7,16-17H2,1-2H3,(H,27,28,29).
What are the key properties of 7-[4-(dimethylamino)butoxy]-N-(4-phenoxyphenyl)quinazolin-4-amine?
7-[4-(dimethylamino)butoxy]-N-(4-phenoxyphenyl)quinazolin-4-amine has a molecular weight of 428.54 g/mol, XLogP of 5.89, 10 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[4-(dimethylamino)butoxy]-N-(4-phenoxyphenyl)quinazolin-4-amine is sourced from PubChem (CID 54254112), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).