6-[4-(methylamino)phenyl]-N-(3-methylbutyl)quinazolin-4-amine

C20H24N4 — CID 69016704

IUPAC6-[4-(methylamino)phenyl]-N-(3-methylbutyl)quinazolin-4-amine
SMILESCNc1ccc(-c2ccc3ncnc(NCCC(C)C)c3c2)cc1
InChIInChI=1S/C20H24N4/c1-14(2)10-11-22-20-18-12-16(6-9-19(18)23-13-24-20)15-4-7-17(21-3)8-5-15/h4-9,12-14,21H,10-11H2,1-3H3,(H,22,23,24)
InChIKeyZIMYANOWJFKAPY-UHFFFAOYSA-N
MW320.44 g/mol
LogP4.80
Rot. Bonds6

About 6-[4-(methylamino)phenyl]-N-(3-methylbutyl)quinazolin-4-amine

6-[4-(methylamino)phenyl]-N-(3-methylbutyl)quinazolin-4-amine (PubChem CID 69016704) has the molecular formula C20H24N4 and a molecular weight of 320.44 g/mol. Its IUPAC name is 6-[4-(methylamino)phenyl]-N-(3-methylbutyl)quinazolin-4-amine.

Molecular Properties

Compound Name6-[4-(methylamino)phenyl]-N-(3-methylbutyl)quinazolin-4-amine
PubChem CID69016704
Molecular FormulaC20H24N4
Molecular Weight320.44 g/mol
Exact Mass320.20
IUPAC Name6-[4-(methylamino)phenyl]-N-(3-methylbutyl)quinazolin-4-amine
SMILESCNc1ccc(-c2ccc3ncnc(NCCC(C)C)c3c2)cc1
InChIInChI=1S/C20H24N4/c1-14(2)10-11-22-20-18-12-16(6-9-19(18)23-13-24-20)15-4-7-17(21-3)8-5-15/h4-9,12-14,21H,10-11H2,1-3H3,(H,22,23,24)
InChIKeyZIMYANOWJFKAPY-UHFFFAOYSA-N
XLogP4.80
TPSA49.84 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.44
LogP ≤ 54.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

6-(4-butylphenyl)-N-(3-methylbutyl)quinazolin-4-amine
CID 69015459
N-(3-methylbutyl)-6-(1,3,5-trimethylpyrazol-4-yl)quinazolin-4-amine
CID 69015210
N-(3-methylbutyl)-6-(2-piperazin-1-yl-4-pyridinyl)quinazolin-4-amine
CID 69016844
prop-2-enyl 4-[4-[4-(3-methylbutylamino)quinazolin-6-yl]phenyl]piperazine-1-carboxylate
CID 69016016
6-[3-[2-(1,3-dioxolan-2-yl)ethoxy]phenyl]-N-(3-methylbutyl)quinazolin-4-amine
CID 69016508
7-chloro-N-(3-methylbutyl)quinazolin-4-amine;ethane
CID 156733545
N-(3-methylbutyl)-6-(1-thianthren-1-ylthiophen-1-ium-3-yl)quinazolin-4-amine
CID 172692143
6-N-methyl-4-N-(3-methylbutyl)-5-propan-2-ylpyrimidine-4,6-diamine
CID 80786302
N-benzyl-6-[4-(dimethylamino)phenyl]quinazolin-4-amine
CID 3233864
6-[4-(dimethylamino)phenyl]-N-[(5-methylpyrazin-2-yl)methyl]quinazolin-4-amine
CID 3234456
N-(2-methoxyethyl)-6-(3-methoxyphenyl)quinazolin-4-amine
CID 3232599
N,6-diphenylquinazolin-4-amine
CID 86766666

Frequently Asked Questions

What is the IUPAC name of 6-[4-(methylamino)phenyl]-N-(3-methylbutyl)quinazolin-4-amine?
The IUPAC name of 6-[4-(methylamino)phenyl]-N-(3-methylbutyl)quinazolin-4-amine (CID 69016704) is 6-[4-(methylamino)phenyl]-N-(3-methylbutyl)quinazolin-4-amine.
What is the SMILES notation for 6-[4-(methylamino)phenyl]-N-(3-methylbutyl)quinazolin-4-amine?
The canonical SMILES for 6-[4-(methylamino)phenyl]-N-(3-methylbutyl)quinazolin-4-amine is CNc1ccc(-c2ccc3ncnc(NCCC(C)C)c3c2)cc1.
What is the InChIKey of 6-[4-(methylamino)phenyl]-N-(3-methylbutyl)quinazolin-4-amine?
The InChIKey is ZIMYANOWJFKAPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N4/c1-14(2)10-11-22-20-18-12-16(6-9-19(18)23-13-24-20)15-4-7-17(21-3)8-5-15/h4-9,12-14,21H,10-11H2,1-3H3,(H,22,23,24).
What are the key properties of 6-[4-(methylamino)phenyl]-N-(3-methylbutyl)quinazolin-4-amine?
6-[4-(methylamino)phenyl]-N-(3-methylbutyl)quinazolin-4-amine has a molecular weight of 320.44 g/mol, XLogP of 4.80, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[4-(methylamino)phenyl]-N-(3-methylbutyl)quinazolin-4-amine is sourced from PubChem (CID 69016704), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).