N-(3-bromophenyl)-7-[4-(dimethylamino)butoxy]quinazolin-4-amine

C20H23BrN4O — CID 140994402

IUPACN-(3-bromophenyl)-7-[4-(dimethylamino)butoxy]quinazolin-4-amine
SMILESCN(C)CCCCOc1ccc2c(Nc3cccc(Br)c3)ncnc2c1
InChIInChI=1S/C20H23BrN4O/c1-25(2)10-3-4-11-26-17-8-9-18-19(13-17)22-14-23-20(18)24-16-7-5-6-15(21)12-16/h5-9,12-14H,3-4,10-11H2,1-2H3,(H,22,23,24)
InChIKeyHQYGMGHYHHLLGZ-UHFFFAOYSA-N
MW415.34 g/mol
LogP4.86
Rot. Bonds8

About N-(3-bromophenyl)-7-[4-(dimethylamino)butoxy]quinazolin-4-amine

N-(3-bromophenyl)-7-[4-(dimethylamino)butoxy]quinazolin-4-amine (PubChem CID 140994402) has the molecular formula C20H23BrN4O and a molecular weight of 415.34 g/mol. Its IUPAC name is N-(3-bromophenyl)-7-[4-(dimethylamino)butoxy]quinazolin-4-amine.

Molecular Properties

Compound NameN-(3-bromophenyl)-7-[4-(dimethylamino)butoxy]quinazolin-4-amine
PubChem CID140994402
Molecular FormulaC20H23BrN4O
Molecular Weight415.34 g/mol
Exact Mass414.11
IUPAC NameN-(3-bromophenyl)-7-[4-(dimethylamino)butoxy]quinazolin-4-amine
SMILESCN(C)CCCCOc1ccc2c(Nc3cccc(Br)c3)ncnc2c1
InChIInChI=1S/C20H23BrN4O/c1-25(2)10-3-4-11-26-17-8-9-18-19(13-17)22-14-23-20(18)24-16-7-5-6-15(21)12-16/h5-9,12-14H,3-4,10-11H2,1-2H3,(H,22,23,24)
InChIKeyHQYGMGHYHHLLGZ-UHFFFAOYSA-N
XLogP4.86
TPSA50.28 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500415.34
LogP ≤ 54.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

7-[4-(dimethylamino)butoxy]-N-(4-phenoxyphenyl)quinazolin-4-amine
CID 54254112
N-[4-(3-bromoanilino)quinazolin-6-yl]-4-(dimethylamino)butanamide
CID 44629538
7-methoxy-N-(3-methoxyphenyl)quinazolin-4-amine
CID 21003078
3-(dimethylamino)propyl (E)-5-[4-(3-bromoanilino)quinazolin-6-yl]-4-oxopent-2-enoate
CID 44564192
N-(3-bromophenyl)-6,7-dimethylquinazolin-4-amine;dihydrate
CID 169427940
4-(3-bromoanilino)-6-methoxyquinazolin-7-ol
CID 135533250
4-(3-bromoanilino)-7-(111C)methoxyquinazolin-6-ol
CID 11142491
ethyl 2-[4-[4-(3-bromoanilino)-6-nitroquinazolin-7-yl]oxybutyl-methylamino]acetate
CID 22270003
6-[2-[amino-[bis(2-chloroethyl)amino]phosphoryl]oxyethoxy]-N-(3-bromophenyl)quinazolin-4-amine
CID 71616700
3-[4-(3-bromoanilino)-6-nitroquinazolin-7-yl]oxypropan-1-ol
CID 22269958
N-[4-(3-bromoanilino)quinazolin-7-yl]-2-methylprop-2-enamide
CID 18176145
6-bromo-N-(3-methoxyphenyl)quinazolin-4-amine
CID 709498

Frequently Asked Questions

What is the IUPAC name of N-(3-bromophenyl)-7-[4-(dimethylamino)butoxy]quinazolin-4-amine?
The IUPAC name of N-(3-bromophenyl)-7-[4-(dimethylamino)butoxy]quinazolin-4-amine (CID 140994402) is N-(3-bromophenyl)-7-[4-(dimethylamino)butoxy]quinazolin-4-amine.
What is the SMILES notation for N-(3-bromophenyl)-7-[4-(dimethylamino)butoxy]quinazolin-4-amine?
The canonical SMILES for N-(3-bromophenyl)-7-[4-(dimethylamino)butoxy]quinazolin-4-amine is CN(C)CCCCOc1ccc2c(Nc3cccc(Br)c3)ncnc2c1.
What is the InChIKey of N-(3-bromophenyl)-7-[4-(dimethylamino)butoxy]quinazolin-4-amine?
The InChIKey is HQYGMGHYHHLLGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23BrN4O/c1-25(2)10-3-4-11-26-17-8-9-18-19(13-17)22-14-23-20(18)24-16-7-5-6-15(21)12-16/h5-9,12-14H,3-4,10-11H2,1-2H3,(H,22,23,24).
What are the key properties of N-(3-bromophenyl)-7-[4-(dimethylamino)butoxy]quinazolin-4-amine?
N-(3-bromophenyl)-7-[4-(dimethylamino)butoxy]quinazolin-4-amine has a molecular weight of 415.34 g/mol, XLogP of 4.86, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-bromophenyl)-7-[4-(dimethylamino)butoxy]quinazolin-4-amine is sourced from PubChem (CID 140994402), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).