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

C21H18N4 — CID 9251567

IUPACN-[(2-methylphenyl)methyl]-2-pyridin-3-ylquinazolin-4-amine
SMILESCc1ccccc1CNc1nc(-c2cccnc2)nc2ccccc12
InChIInChI=1S/C21H18N4/c1-15-7-2-3-8-16(15)14-23-21-18-10-4-5-11-19(18)24-20(25-21)17-9-6-12-22-13-17/h2-13H,14H2,1H3,(H,23,24,25)
InChIKeySODLTYPOMHVFFM-UHFFFAOYSA-N
MW326.40 g/mol
LogP4.61
Rot. Bonds4

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

N-[(2-methylphenyl)methyl]-2-pyridin-3-ylquinazolin-4-amine (PubChem CID 9251567) has the molecular formula C21H18N4 and a molecular weight of 326.40 g/mol. Its IUPAC name is N-[(2-methylphenyl)methyl]-2-pyridin-3-ylquinazolin-4-amine.

Molecular Properties

Compound NameN-[(2-methylphenyl)methyl]-2-pyridin-3-ylquinazolin-4-amine
PubChem CID9251567
Molecular FormulaC21H18N4
Molecular Weight326.40 g/mol
Exact Mass326.15
IUPAC NameN-[(2-methylphenyl)methyl]-2-pyridin-3-ylquinazolin-4-amine
SMILESCc1ccccc1CNc1nc(-c2cccnc2)nc2ccccc12
InChIInChI=1S/C21H18N4/c1-15-7-2-3-8-16(15)14-23-21-18-10-4-5-11-19(18)24-20(25-21)17-9-6-12-22-13-17/h2-13H,14H2,1H3,(H,23,24,25)
InChIKeySODLTYPOMHVFFM-UHFFFAOYSA-N
XLogP4.61
TPSA50.70 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.40
LogP ≤ 54.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(5-methylpyrazin-2-yl)methyl]-2-pyridin-3-ylquinazolin-4-amine
CID 3234103
2-pyridin-3-yl-N-[(2-pyrrolidin-1-ylphenyl)methyl]quinazolin-4-amine
CID 55986721
N-prop-2-ynyl-2-pyridin-3-ylquinazolin-4-amine
CID 9251922
N-methyl-2-pyridin-3-ylquinazolin-4-amine;propane
CID 142952952
2-pyridin-3-yl-N-[(3,4,5-trimethoxyphenyl)methyl]quinazolin-4-amine
CID 9024030
4-[[(2-pyridin-3-ylquinazolin-4-yl)amino]methyl]benzenesulfonamide;dihydrochloride
CID 19392360
N-(2-cyclopropyl-2-methoxypropyl)-2-pyridin-3-ylquinazolin-4-amine
CID 166215085
N-(2-cyclopropylethyl)-2-pyridin-3-ylquinazolin-4-amine
CID 133324203
N-propan-2-yl-2-[(2-pyridin-3-ylquinazolin-4-yl)amino]acetamide
CID 8567435
2-pyridin-3-yl-N-[[4-(pyrrolidin-1-ylmethyl)phenyl]methyl]quinazolin-4-amine
CID 9024551
N-[2-(4-fluorophenyl)ethyl]-2-pyridin-3-ylquinazolin-4-amine
CID 9311182
N-[[(2S)-oxolan-2-yl]methyl]-2-pyridin-3-ylquinazolin-4-amine
CID 2546848

Frequently Asked Questions

What is the IUPAC name of N-[(2-methylphenyl)methyl]-2-pyridin-3-ylquinazolin-4-amine?
The IUPAC name of N-[(2-methylphenyl)methyl]-2-pyridin-3-ylquinazolin-4-amine (CID 9251567) is N-[(2-methylphenyl)methyl]-2-pyridin-3-ylquinazolin-4-amine.
What is the SMILES notation for N-[(2-methylphenyl)methyl]-2-pyridin-3-ylquinazolin-4-amine?
The canonical SMILES for N-[(2-methylphenyl)methyl]-2-pyridin-3-ylquinazolin-4-amine is Cc1ccccc1CNc1nc(-c2cccnc2)nc2ccccc12.
What is the InChIKey of N-[(2-methylphenyl)methyl]-2-pyridin-3-ylquinazolin-4-amine?
The InChIKey is SODLTYPOMHVFFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18N4/c1-15-7-2-3-8-16(15)14-23-21-18-10-4-5-11-19(18)24-20(25-21)17-9-6-12-22-13-17/h2-13H,14H2,1H3,(H,23,24,25).
What are the key properties of N-[(2-methylphenyl)methyl]-2-pyridin-3-ylquinazolin-4-amine?
N-[(2-methylphenyl)methyl]-2-pyridin-3-ylquinazolin-4-amine has a molecular weight of 326.40 g/mol, XLogP of 4.61, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-methylphenyl)methyl]-2-pyridin-3-ylquinazolin-4-amine is sourced from PubChem (CID 9251567), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).