N-methyl-6-(4-methylphenyl)-2-pyridin-3-ylquinazolin-4-amine

C21H18N4 — CID 71180199

IUPACN-methyl-6-(4-methylphenyl)-2-pyridin-3-ylquinazolin-4-amine
SMILESCNc1nc(-c2cccnc2)nc2ccc(-c3ccc(C)cc3)cc12
InChIInChI=1S/C21H18N4/c1-14-5-7-15(8-6-14)16-9-10-19-18(12-16)21(22-2)25-20(24-19)17-4-3-11-23-13-17/h3-13H,1-2H3,(H,22,24,25)
InChIKeySJEWZOXDPBCGKM-UHFFFAOYSA-N
MW326.40 g/mol
LogP4.71
Rot. Bonds3

About N-methyl-6-(4-methylphenyl)-2-pyridin-3-ylquinazolin-4-amine

N-methyl-6-(4-methylphenyl)-2-pyridin-3-ylquinazolin-4-amine (PubChem CID 71180199) has the molecular formula C21H18N4 and a molecular weight of 326.40 g/mol. Its IUPAC name is N-methyl-6-(4-methylphenyl)-2-pyridin-3-ylquinazolin-4-amine.

Molecular Properties

Compound NameN-methyl-6-(4-methylphenyl)-2-pyridin-3-ylquinazolin-4-amine
PubChem CID71180199
Molecular FormulaC21H18N4
Molecular Weight326.40 g/mol
Exact Mass326.15
IUPAC NameN-methyl-6-(4-methylphenyl)-2-pyridin-3-ylquinazolin-4-amine
SMILESCNc1nc(-c2cccnc2)nc2ccc(-c3ccc(C)cc3)cc12
InChIInChI=1S/C21H18N4/c1-14-5-7-15(8-6-14)16-9-10-19-18(12-16)21(22-2)25-20(24-19)17-4-3-11-23-13-17/h3-13H,1-2H3,(H,22,24,25)
InChIKeySJEWZOXDPBCGKM-UHFFFAOYSA-N
XLogP4.71
TPSA50.70 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.40
LogP ≤ 54.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N,6-dimethyl-2-pyridin-3-ylquinazolin-4-amine;ethane
CID 144500540
3-[4-(methylamino)-2-pyridin-3-ylquinazolin-6-yl]phenol
CID 67297993
6-(5-methoxy-3-pyridinyl)-N-methyl-2-pyridin-3-ylquinazolin-4-amine
CID 71179842
6-(3-fluoro-4-iodophenyl)-N-methyl-2-pyridin-3-ylquinazolin-4-amine
CID 122494265
N-methyl-6-(4-propoxyphenyl)-2-pyridin-3-ylquinazolin-4-amine
CID 71179891
N-methyl-6-(3-methylsulfinylphenyl)-2-pyridin-3-ylquinazolin-4-amine
CID 71274519
N-methyl-6-(3-nitrophenyl)-2-pyridin-3-ylquinazolin-4-amine
CID 89347896
6-[4-fluoro-3-(trifluoromethyl)phenyl]-N-methyl-2-pyridin-3-ylquinazolin-4-amine
CID 71274599
6-(3-fluoro-5-methoxyphenyl)-N-methyl-2-pyridin-3-ylquinazolin-4-amine
CID 71179890
N-methyl-6-(2-prop-1-en-2-ylphenyl)-2-pyridin-3-ylquinazolin-4-amine
CID 135128099
N-methyl-2-pyridin-3-ylquinazolin-4-amine;propane
CID 142952952
N-[6-(4-acetylphenyl)-2-pyridin-3-ylquinazolin-4-yl]acetamide
CID 71181229

Frequently Asked Questions

What is the IUPAC name of N-methyl-6-(4-methylphenyl)-2-pyridin-3-ylquinazolin-4-amine?
The IUPAC name of N-methyl-6-(4-methylphenyl)-2-pyridin-3-ylquinazolin-4-amine (CID 71180199) is N-methyl-6-(4-methylphenyl)-2-pyridin-3-ylquinazolin-4-amine.
What is the SMILES notation for N-methyl-6-(4-methylphenyl)-2-pyridin-3-ylquinazolin-4-amine?
The canonical SMILES for N-methyl-6-(4-methylphenyl)-2-pyridin-3-ylquinazolin-4-amine is CNc1nc(-c2cccnc2)nc2ccc(-c3ccc(C)cc3)cc12.
What is the InChIKey of N-methyl-6-(4-methylphenyl)-2-pyridin-3-ylquinazolin-4-amine?
The InChIKey is SJEWZOXDPBCGKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18N4/c1-14-5-7-15(8-6-14)16-9-10-19-18(12-16)21(22-2)25-20(24-19)17-4-3-11-23-13-17/h3-13H,1-2H3,(H,22,24,25).
What are the key properties of N-methyl-6-(4-methylphenyl)-2-pyridin-3-ylquinazolin-4-amine?
N-methyl-6-(4-methylphenyl)-2-pyridin-3-ylquinazolin-4-amine has a molecular weight of 326.40 g/mol, XLogP of 4.71, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-6-(4-methylphenyl)-2-pyridin-3-ylquinazolin-4-amine is sourced from PubChem (CID 71180199), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).