but-1-ene;3-N-(6,7-dimethylquinazolin-4-yl)benzene-1,3-diamine;ethane

C22H30N4 — CID 142974670

IUPACbut-1-ene;3-N-(6,7-dimethylquinazolin-4-yl)benzene-1,3-diamine;ethane
SMILESC=CCC.CC.Cc1cc2ncnc(Nc3cccc(N)c3)c2cc1C
InChIInChI=1S/C16H16N4.C4H8.C2H6/c1-10-6-14-15(7-11(10)2)18-9-19-16(14)20-13-5-3-4-12(17)8-13;1-3-4-2;1-2/h3-9H,17H2,1-2H3,(H,18,19,20);3H,1,4H2,2H3;1-2H3
InChIKeyUUOSDBOMLXOSFR-UHFFFAOYSA-N
MW350.51 g/mol
LogP6.18
Rot. Bonds3

About but-1-ene;3-N-(6,7-dimethylquinazolin-4-yl)benzene-1,3-diamine;ethane

but-1-ene;3-N-(6,7-dimethylquinazolin-4-yl)benzene-1,3-diamine;ethane (PubChem CID 142974670) has the molecular formula C22H30N4 and a molecular weight of 350.51 g/mol. Its IUPAC name is but-1-ene;3-N-(6,7-dimethylquinazolin-4-yl)benzene-1,3-diamine;ethane.

Molecular Properties

Compound Namebut-1-ene;3-N-(6,7-dimethylquinazolin-4-yl)benzene-1,3-diamine;ethane
PubChem CID142974670
Molecular FormulaC22H30N4
Molecular Weight350.51 g/mol
Exact Mass350.25
IUPAC Namebut-1-ene;3-N-(6,7-dimethylquinazolin-4-yl)benzene-1,3-diamine;ethane
SMILESC=CCC.CC.Cc1cc2ncnc(Nc3cccc(N)c3)c2cc1C
InChIInChI=1S/C16H16N4.C4H8.C2H6/c1-10-6-14-15(7-11(10)2)18-9-19-16(14)20-13-5-3-4-12(17)8-13;1-3-4-2;1-2/h3-9H,17H2,1-2H3,(H,18,19,20);3H,1,4H2,2H3;1-2H3
InChIKeyUUOSDBOMLXOSFR-UHFFFAOYSA-N
XLogP6.18
TPSA63.83 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500350.51
LogP ≤ 56.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

6,7-dimethyl-N-phenylquinazolin-4-amine;ethane;methane
CID 169425535
N-(3-bromophenyl)-6,7-dimethylquinazolin-4-amine;dihydrate
CID 169427940
4-N-(3-ethenylphenyl)-7-methoxyquinazoline-4,6-diamine
CID 127255387
N-(3-ethenylphenyl)-6,7-dimethoxyquinazolin-4-amine
CID 24936078
4-[(6,7-dimethylquinazolin-4-yl)amino]phenol
CID 18685574
3-N-(5,6-dimethylpyrimidin-4-yl)benzene-1,3-diamine
CID 123347147
N-[4-[(S)-amino(phenyl)methyl]phenyl]-6,7-dimethylquinazolin-4-amine
CID 159200740
N-(3-chlorophenyl)-7-methoxy-6-methylquinazolin-4-amine
CID 163979167
N-(3,5-dibromo-4-methylphenyl)-6,7-dimethylquinazolin-4-amine;dihydrate
CID 160598444
6,7-dimethyl-N-(2-methylphenyl)quinazolin-4-amine
CID 18685587
4-[(6,7-dimethylquinazolin-4-yl)amino]-2-iodophenol
CID 18685568
6-butoxy-N-(3-methoxyphenyl)-7-methylquinazolin-4-amine
CID 142857826

Frequently Asked Questions

What is the IUPAC name of but-1-ene;3-N-(6,7-dimethylquinazolin-4-yl)benzene-1,3-diamine;ethane?
The IUPAC name of but-1-ene;3-N-(6,7-dimethylquinazolin-4-yl)benzene-1,3-diamine;ethane (CID 142974670) is but-1-ene;3-N-(6,7-dimethylquinazolin-4-yl)benzene-1,3-diamine;ethane.
What is the SMILES notation for but-1-ene;3-N-(6,7-dimethylquinazolin-4-yl)benzene-1,3-diamine;ethane?
The canonical SMILES for but-1-ene;3-N-(6,7-dimethylquinazolin-4-yl)benzene-1,3-diamine;ethane is C=CCC.CC.Cc1cc2ncnc(Nc3cccc(N)c3)c2cc1C.
What is the InChIKey of but-1-ene;3-N-(6,7-dimethylquinazolin-4-yl)benzene-1,3-diamine;ethane?
The InChIKey is UUOSDBOMLXOSFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N4.C4H8.C2H6/c1-10-6-14-15(7-11(10)2)18-9-19-16(14)20-13-5-3-4-12(17)8-13;1-3-4-2;1-2/h3-9H,17H2,1-2H3,(H,18,19,20);3H,1,4H2,2H3;1-2H3.
What are the key properties of but-1-ene;3-N-(6,7-dimethylquinazolin-4-yl)benzene-1,3-diamine;ethane?
but-1-ene;3-N-(6,7-dimethylquinazolin-4-yl)benzene-1,3-diamine;ethane has a molecular weight of 350.51 g/mol, XLogP of 6.18, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for but-1-ene;3-N-(6,7-dimethylquinazolin-4-yl)benzene-1,3-diamine;ethane is sourced from PubChem (CID 142974670), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).