2-methyl-4-phenylquinazoline;4-methyl-2-phenylquinazoline;2-methyl-4-phenylquinoline;4-methyl-2-phenylquinoline

C62H50N6 — CID 159423893

IUPAC2-methyl-4-phenylquinazoline;4-methyl-2-phenylquinazoline;2-methyl-4-phenylquinoline;4-methyl-2-phenylquinoline
SMILESCc1cc(-c2ccccc2)c2ccccc2n1.Cc1cc(-c2ccccc2)nc2ccccc12.Cc1nc(-c2ccccc2)c2ccccc2n1.Cc1nc(-c2ccccc2)nc2ccccc12
InChIInChI=1S/2C16H13N.2C15H12N2/c1-12-11-15(13-7-3-2-4-8-13)14-9-5-6-10-16(14)17-12;1-12-11-16(13-7-3-2-4-8-13)17-15-10-6-5-9-14(12)15;1-11-16-14-10-6-5-9-13(14)15(17-11)12-7-3-2-4-8-12;1-11-13-9-5-6-10-14(13)17-15(16-11)12-7-3-2-4-8-12/h2*2-11H,1H3;2*2-10H,1H3
InChIKeyLQCHAUFNPXELRR-UHFFFAOYSA-N
MW879.12 g/mol
LogP15.63
Rot. Bonds4

About 2-methyl-4-phenylquinazoline;4-methyl-2-phenylquinazoline;2-methyl-4-phenylquinoline;4-methyl-2-phenylquinoline

2-methyl-4-phenylquinazoline;4-methyl-2-phenylquinazoline;2-methyl-4-phenylquinoline;4-methyl-2-phenylquinoline (PubChem CID 159423893) has the molecular formula C62H50N6 and a molecular weight of 879.12 g/mol. Its IUPAC name is 2-methyl-4-phenylquinazoline;4-methyl-2-phenylquinazoline;2-methyl-4-phenylquinoline;4-methyl-2-phenylquinoline.

Molecular Properties

Compound Name2-methyl-4-phenylquinazoline;4-methyl-2-phenylquinazoline;2-methyl-4-phenylquinoline;4-methyl-2-phenylquinoline
PubChem CID159423893
Molecular FormulaC62H50N6
Molecular Weight879.12 g/mol
Exact Mass878.41
IUPAC Name2-methyl-4-phenylquinazoline;4-methyl-2-phenylquinazoline;2-methyl-4-phenylquinoline;4-methyl-2-phenylquinoline
SMILESCc1cc(-c2ccccc2)c2ccccc2n1.Cc1cc(-c2ccccc2)nc2ccccc12.Cc1nc(-c2ccccc2)c2ccccc2n1.Cc1nc(-c2ccccc2)nc2ccccc12
InChIInChI=1S/2C16H13N.2C15H12N2/c1-12-11-15(13-7-3-2-4-8-13)14-9-5-6-10-16(14)17-12;1-12-11-16(13-7-3-2-4-8-13)17-15-10-6-5-9-14(12)15;1-11-16-14-10-6-5-9-13(14)15(17-11)12-7-3-2-4-8-12;1-11-13-9-5-6-10-14(13)17-15(16-11)12-7-3-2-4-8-12/h2*2-11H,1H3;2*2-10H,1H3
InChIKeyLQCHAUFNPXELRR-UHFFFAOYSA-N
XLogP15.63
TPSA77.34 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms68
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500879.12
LogP ≤ 515.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

5-methyl-1,10-phenanthroline;4-methyl-3-phenylisoquinoline;2-methyl-4-phenylquinazoline;4-methyl-2-phenylquinazoline;2-methyl-4-phenylquinoline;4-methyl-2-phenylquinoline
CID 157326045
2-(9,9-dimethylfluoren-2-yl)-4-methyl-6-naphthalen-2-yl-1,3,5-triazine;2-(9,9-dimethylfluoren-2-yl)-4-methyl-6-(4-phenylphenyl)-1,3,5-triazine;2-(9,9-dimethylfluoren-2-yl)-4-methyl-6-phenyl-1,3,5-triazine;2-methyl-4-(4-phenylphenyl)quinazoline;2-methyl-4-phenylquinoline;4-methyl-2-phenylquinoline;8-(4-methylphenyl)quinoline
CID 158028416
bis(2,4-dimethylquinazoline);bis(2,4-dimethylquinoline);ethane
CID 163451180
4-phenyl-2-[4-[6-phenyl-2-(4-phenylnaphthalen-1-yl)pyrimidin-4-yl]phenyl]quinazoline
CID 118641165
2-methyl-4-phenylpyrimidine;2-methyl-4-phenylquinazoline;2-methyl-4-phenylquinoline;2-methyl-4-phenyl-1,3,5-triazine;2-methylquinazoline;2-methylquinoline
CID 161071912
2-(4-iodophenyl)-4-methylquinoline
CID 8966469
3-[4-[4,6-bis(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]-1-phenylisoquinoline;2-[4-[4-(4,6-dimethylpyrimidin-2-yl)phenyl]phenyl]-4,6-bis(4-phenylphenyl)-1,3,5-triazine
CID 165040763
2-methyl-4,6-diphenylbenzo[h]quinazoline
CID 157187450
2-(3,4-dimethylphenyl)-4-methylquinoline;hydrochloride
CID 47104793
2-(2-methylquinolin-4-yl)-4-phenyl-1,3-thiazole
CID 103597581
4-(4-methoxyphenyl)-2-phenylquinoline
CID 12523263
10-phenyl-6-[4-[4-[2-phenyl-6-(4-phenylphenyl)pyrimidin-4-yl]phenyl]phenyl]phenanthridine
CID 146548512

Frequently Asked Questions

What is the IUPAC name of 2-methyl-4-phenylquinazoline;4-methyl-2-phenylquinazoline;2-methyl-4-phenylquinoline;4-methyl-2-phenylquinoline?
The IUPAC name of 2-methyl-4-phenylquinazoline;4-methyl-2-phenylquinazoline;2-methyl-4-phenylquinoline;4-methyl-2-phenylquinoline (CID 159423893) is 2-methyl-4-phenylquinazoline;4-methyl-2-phenylquinazoline;2-methyl-4-phenylquinoline;4-methyl-2-phenylquinoline.
What is the SMILES notation for 2-methyl-4-phenylquinazoline;4-methyl-2-phenylquinazoline;2-methyl-4-phenylquinoline;4-methyl-2-phenylquinoline?
The canonical SMILES for 2-methyl-4-phenylquinazoline;4-methyl-2-phenylquinazoline;2-methyl-4-phenylquinoline;4-methyl-2-phenylquinoline is Cc1cc(-c2ccccc2)c2ccccc2n1.Cc1cc(-c2ccccc2)nc2ccccc12.Cc1nc(-c2ccccc2)c2ccccc2n1.Cc1nc(-c2ccccc2)nc2ccccc12.
What is the InChIKey of 2-methyl-4-phenylquinazoline;4-methyl-2-phenylquinazoline;2-methyl-4-phenylquinoline;4-methyl-2-phenylquinoline?
The InChIKey is LQCHAUFNPXELRR-UHFFFAOYSA-N. The full InChI is InChI=1S/2C16H13N.2C15H12N2/c1-12-11-15(13-7-3-2-4-8-13)14-9-5-6-10-16(14)17-12;1-12-11-16(13-7-3-2-4-8-13)17-15-10-6-5-9-14(12)15;1-11-16-14-10-6-5-9-13(14)15(17-11)12-7-3-2-4-8-12;1-11-13-9-5-6-10-14(13)17-15(16-11)12-7-3-2-4-8-12/h2*2-11H,1H3;2*2-10H,1H3.
What are the key properties of 2-methyl-4-phenylquinazoline;4-methyl-2-phenylquinazoline;2-methyl-4-phenylquinoline;4-methyl-2-phenylquinoline?
2-methyl-4-phenylquinazoline;4-methyl-2-phenylquinazoline;2-methyl-4-phenylquinoline;4-methyl-2-phenylquinoline has a molecular weight of 879.12 g/mol, XLogP of 15.63, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-4-phenylquinazoline;4-methyl-2-phenylquinazoline;2-methyl-4-phenylquinoline;4-methyl-2-phenylquinoline is sourced from PubChem (CID 159423893), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).