4-methyl-2-(3-methyl-5-pentan-3-ylphenyl)quinazoline

C21H24N2 — CID 153463396

IUPAC4-methyl-2-(3-methyl-5-pentan-3-ylphenyl)quinazoline
SMILESCCC(CC)c1cc(C)cc(-c2nc(C)c3ccccc3n2)c1
InChIInChI=1S/C21H24N2/c1-5-16(6-2)17-11-14(3)12-18(13-17)21-22-15(4)19-9-7-8-10-20(19)23-21/h7-13,16H,5-6H2,1-4H3
InChIKeyFLRISHWQDAMBTD-UHFFFAOYSA-N
MW304.44 g/mol
LogP5.82
Rot. Bonds4

About 4-methyl-2-(3-methyl-5-pentan-3-ylphenyl)quinazoline

4-methyl-2-(3-methyl-5-pentan-3-ylphenyl)quinazoline (PubChem CID 153463396) has the molecular formula C21H24N2 and a molecular weight of 304.44 g/mol. Its IUPAC name is 4-methyl-2-(3-methyl-5-pentan-3-ylphenyl)quinazoline.

Molecular Properties

Compound Name4-methyl-2-(3-methyl-5-pentan-3-ylphenyl)quinazoline
PubChem CID153463396
Molecular FormulaC21H24N2
Molecular Weight304.44 g/mol
Exact Mass304.19
IUPAC Name4-methyl-2-(3-methyl-5-pentan-3-ylphenyl)quinazoline
SMILESCCC(CC)c1cc(C)cc(-c2nc(C)c3ccccc3n2)c1
InChIInChI=1S/C21H24N2/c1-5-16(6-2)17-11-14(3)12-18(13-17)21-22-15(4)19-9-7-8-10-20(19)23-21/h7-13,16H,5-6H2,1-4H3
InChIKeyFLRISHWQDAMBTD-UHFFFAOYSA-N
XLogP5.82
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500304.44
LogP ≤ 55.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-(4-methoxyphenyl)-4-methylquinazoline
CID 15566164
2-(3-chloro-5-methylphenyl)quinazolin-4-amine
CID 81324898
6-(3,5-dimethylphenyl)phenanthridine
CID 122398560
N-ethyl-2-(3-methylphenyl)quinazolin-4-amine
CID 63501184
4-methyl-2-(4-nitrophenyl)quinazoline
CID 742061
4-methyl-2-[2-[3-(6-phenylhexyl)phenyl]-4-pyridinyl]quinazoline
CID 140675988
4-methyl-2-propylquinazoline
CID 102028335
2-[(2,4-dimethylphenyl)sulfanylmethyl]-4-methylquinazoline
CID 112812948
4-[3-[3-(3-butan-2-ylphenyl)phenyl]phenyl]-2-[3-(3,5-dimethylphenyl)phenyl]-6-phenylpyrimidine
CID 59552748
2-ethoxy-4-methylquinazoline
CID 119090312
6-(3-methyl-5-pentan-3-ylphenyl)selenopheno[3,2-c]pyridine
CID 153463280
2-[3-(3,5-dimethylphenyl)-5-phenanthren-2-ylphenyl]-4,6-diphenyl-1,3,5-triazine
CID 122416099

Frequently Asked Questions

What is the IUPAC name of 4-methyl-2-(3-methyl-5-pentan-3-ylphenyl)quinazoline?
The IUPAC name of 4-methyl-2-(3-methyl-5-pentan-3-ylphenyl)quinazoline (CID 153463396) is 4-methyl-2-(3-methyl-5-pentan-3-ylphenyl)quinazoline.
What is the SMILES notation for 4-methyl-2-(3-methyl-5-pentan-3-ylphenyl)quinazoline?
The canonical SMILES for 4-methyl-2-(3-methyl-5-pentan-3-ylphenyl)quinazoline is CCC(CC)c1cc(C)cc(-c2nc(C)c3ccccc3n2)c1.
What is the InChIKey of 4-methyl-2-(3-methyl-5-pentan-3-ylphenyl)quinazoline?
The InChIKey is FLRISHWQDAMBTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N2/c1-5-16(6-2)17-11-14(3)12-18(13-17)21-22-15(4)19-9-7-8-10-20(19)23-21/h7-13,16H,5-6H2,1-4H3.
What are the key properties of 4-methyl-2-(3-methyl-5-pentan-3-ylphenyl)quinazoline?
4-methyl-2-(3-methyl-5-pentan-3-ylphenyl)quinazoline has a molecular weight of 304.44 g/mol, XLogP of 5.82, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-2-(3-methyl-5-pentan-3-ylphenyl)quinazoline is sourced from PubChem (CID 153463396), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).