6-(4-butylphenyl)-N-(3-methylbutyl)quinazolin-4-amine

C23H29N3 — CID 69015459

IUPAC6-(4-butylphenyl)-N-(3-methylbutyl)quinazolin-4-amine
SMILESCCCCc1ccc(-c2ccc3ncnc(NCCC(C)C)c3c2)cc1
InChIInChI=1S/C23H29N3/c1-4-5-6-18-7-9-19(10-8-18)20-11-12-22-21(15-20)23(26-16-25-22)24-14-13-17(2)3/h7-12,15-17H,4-6,13-14H2,1-3H3,(H,24,25,26)
InChIKeyMMIXWHRUURYCLH-UHFFFAOYSA-N
MW347.51 g/mol
LogP6.10
Rot. Bonds8

About 6-(4-butylphenyl)-N-(3-methylbutyl)quinazolin-4-amine

6-(4-butylphenyl)-N-(3-methylbutyl)quinazolin-4-amine (PubChem CID 69015459) has the molecular formula C23H29N3 and a molecular weight of 347.51 g/mol. Its IUPAC name is 6-(4-butylphenyl)-N-(3-methylbutyl)quinazolin-4-amine.

Molecular Properties

Compound Name6-(4-butylphenyl)-N-(3-methylbutyl)quinazolin-4-amine
PubChem CID69015459
Molecular FormulaC23H29N3
Molecular Weight347.51 g/mol
Exact Mass347.24
IUPAC Name6-(4-butylphenyl)-N-(3-methylbutyl)quinazolin-4-amine
SMILESCCCCc1ccc(-c2ccc3ncnc(NCCC(C)C)c3c2)cc1
InChIInChI=1S/C23H29N3/c1-4-5-6-18-7-9-19(10-8-18)20-11-12-22-21(15-20)23(26-16-25-22)24-14-13-17(2)3/h7-12,15-17H,4-6,13-14H2,1-3H3,(H,24,25,26)
InChIKeyMMIXWHRUURYCLH-UHFFFAOYSA-N
XLogP6.10
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500347.51
LogP ≤ 56.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

6-[4-(methylamino)phenyl]-N-(3-methylbutyl)quinazolin-4-amine
CID 69016704
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
6-fluoro-N-[2-[4-(4-fluorophenyl)phenyl]ethyl]quinazolin-4-amine
CID 171352860
4-N-[2-[4-(3-methylbutoxy)phenyl]ethyl]quinazoline-4,6-diamine
CID 139981790
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
6-bromo-N-[2-(4-propan-2-ylphenyl)ethyl]quinazolin-4-amine
CID 67619024
N-[4-[4-(4-heptylphenyl)phenyl]but-3-ynyl]quinazolin-4-amine
CID 140582895
6-fluoro-N-[2-(4-pyridin-4-ylphenyl)ethyl]quinazolin-4-amine
CID 171350371
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

Frequently Asked Questions

What is the IUPAC name of 6-(4-butylphenyl)-N-(3-methylbutyl)quinazolin-4-amine?
The IUPAC name of 6-(4-butylphenyl)-N-(3-methylbutyl)quinazolin-4-amine (CID 69015459) is 6-(4-butylphenyl)-N-(3-methylbutyl)quinazolin-4-amine.
What is the SMILES notation for 6-(4-butylphenyl)-N-(3-methylbutyl)quinazolin-4-amine?
The canonical SMILES for 6-(4-butylphenyl)-N-(3-methylbutyl)quinazolin-4-amine is CCCCc1ccc(-c2ccc3ncnc(NCCC(C)C)c3c2)cc1.
What is the InChIKey of 6-(4-butylphenyl)-N-(3-methylbutyl)quinazolin-4-amine?
The InChIKey is MMIXWHRUURYCLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H29N3/c1-4-5-6-18-7-9-19(10-8-18)20-11-12-22-21(15-20)23(26-16-25-22)24-14-13-17(2)3/h7-12,15-17H,4-6,13-14H2,1-3H3,(H,24,25,26).
What are the key properties of 6-(4-butylphenyl)-N-(3-methylbutyl)quinazolin-4-amine?
6-(4-butylphenyl)-N-(3-methylbutyl)quinazolin-4-amine has a molecular weight of 347.51 g/mol, XLogP of 6.10, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4-butylphenyl)-N-(3-methylbutyl)quinazolin-4-amine is sourced from PubChem (CID 69015459), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).