N-methyl-2-(4-methylphenyl)-N-(naphthalen-1-ylmethyl)quinazolin-4-amine

C27H23N3 — CID 46086677

IUPACN-methyl-2-(4-methylphenyl)-N-(naphthalen-1-ylmethyl)quinazolin-4-amine
SMILESCc1ccc(-c2nc(N(C)Cc3cccc4ccccc34)c3ccccc3n2)cc1
InChIInChI=1S/C27H23N3/c1-19-14-16-21(17-15-19)26-28-25-13-6-5-12-24(25)27(29-26)30(2)18-22-10-7-9-20-8-3-4-11-23(20)22/h3-17H,18H2,1-2H3
InChIKeyOQGAHUFUVXJZQB-UHFFFAOYSA-N
MW389.50 g/mol
LogP6.39
Rot. Bonds4

About N-methyl-2-(4-methylphenyl)-N-(naphthalen-1-ylmethyl)quinazolin-4-amine

N-methyl-2-(4-methylphenyl)-N-(naphthalen-1-ylmethyl)quinazolin-4-amine (PubChem CID 46086677) has the molecular formula C27H23N3 and a molecular weight of 389.50 g/mol. Its IUPAC name is N-methyl-2-(4-methylphenyl)-N-(naphthalen-1-ylmethyl)quinazolin-4-amine.

Molecular Properties

Compound NameN-methyl-2-(4-methylphenyl)-N-(naphthalen-1-ylmethyl)quinazolin-4-amine
PubChem CID46086677
Molecular FormulaC27H23N3
Molecular Weight389.50 g/mol
Exact Mass389.19
IUPAC NameN-methyl-2-(4-methylphenyl)-N-(naphthalen-1-ylmethyl)quinazolin-4-amine
SMILESCc1ccc(-c2nc(N(C)Cc3cccc4ccccc34)c3ccccc3n2)cc1
InChIInChI=1S/C27H23N3/c1-19-14-16-21(17-15-19)26-28-25-13-6-5-12-24(25)27(29-26)30(2)18-22-10-7-9-20-8-3-4-11-23(20)22/h3-17H,18H2,1-2H3
InChIKeyOQGAHUFUVXJZQB-UHFFFAOYSA-N
XLogP6.39
TPSA29.02 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500389.50
LogP ≤ 56.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-(2,3-dichlorophenyl)-N-methyl-N-(naphthalen-1-ylmethyl)quinazolin-4-amine
CID 46084867
N-butyl-N-methyl-2-(4-methylphenyl)quinazolin-4-amine
CID 15992174
N,N,N'-trimethyl-N'-(2-phenylquinazolin-4-yl)ethane-1,2-diamine
CID 56670000
N,N-dimethyl-2-phenylquinazolin-4-amine;ethane
CID 90692707
1-[methyl-(2-phenylquinazolin-4-yl)amino]propan-2-ol
CID 133274770
N-(furan-2-ylmethyl)-N-methyl-2-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]quinazolin-4-amine
CID 53090540
N-benzyl-N-methyl-2-pyridin-3-ylquinazolin-4-amine
CID 7765679
2-[4-(diethylamino)phenyl]-N,N-dimethylquinazolin-4-amine
CID 130369805
N-methyl-N,2-diphenylquinazolin-4-amine
CID 10358104
2-(furan-3-yl)-N-(furan-2-ylmethyl)-N-methylquinazolin-4-amine
CID 3235248
2-(4-chlorophenyl)-N,N-diethylquinazolin-4-amine
CID 899344
N-(5-methyl-1,2-oxazol-3-yl)-2-[methyl-(2-phenylquinazolin-4-yl)amino]acetamide
CID 134032191

Frequently Asked Questions

What is the IUPAC name of N-methyl-2-(4-methylphenyl)-N-(naphthalen-1-ylmethyl)quinazolin-4-amine?
The IUPAC name of N-methyl-2-(4-methylphenyl)-N-(naphthalen-1-ylmethyl)quinazolin-4-amine (CID 46086677) is N-methyl-2-(4-methylphenyl)-N-(naphthalen-1-ylmethyl)quinazolin-4-amine.
What is the SMILES notation for N-methyl-2-(4-methylphenyl)-N-(naphthalen-1-ylmethyl)quinazolin-4-amine?
The canonical SMILES for N-methyl-2-(4-methylphenyl)-N-(naphthalen-1-ylmethyl)quinazolin-4-amine is Cc1ccc(-c2nc(N(C)Cc3cccc4ccccc34)c3ccccc3n2)cc1.
What is the InChIKey of N-methyl-2-(4-methylphenyl)-N-(naphthalen-1-ylmethyl)quinazolin-4-amine?
The InChIKey is OQGAHUFUVXJZQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H23N3/c1-19-14-16-21(17-15-19)26-28-25-13-6-5-12-24(25)27(29-26)30(2)18-22-10-7-9-20-8-3-4-11-23(20)22/h3-17H,18H2,1-2H3.
What are the key properties of N-methyl-2-(4-methylphenyl)-N-(naphthalen-1-ylmethyl)quinazolin-4-amine?
N-methyl-2-(4-methylphenyl)-N-(naphthalen-1-ylmethyl)quinazolin-4-amine has a molecular weight of 389.50 g/mol, XLogP of 6.39, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-2-(4-methylphenyl)-N-(naphthalen-1-ylmethyl)quinazolin-4-amine is sourced from PubChem (CID 46086677), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).