N-methyl-6-(2-prop-1-en-2-ylphenyl)-2-pyridin-3-ylquinazolin-4-amine

C23H20N4 — CID 135128099

IUPACN-methyl-6-(2-prop-1-en-2-ylphenyl)-2-pyridin-3-ylquinazolin-4-amine
SMILESC=C(C)c1ccccc1-c1ccc2nc(-c3cccnc3)nc(NC)c2c1
InChIInChI=1S/C23H20N4/c1-15(2)18-8-4-5-9-19(18)16-10-11-21-20(13-16)23(24-3)27-22(26-21)17-7-6-12-25-14-17/h4-14H,1H2,2-3H3,(H,24,26,27)
InChIKeyYGFQDTIURXPHKH-UHFFFAOYSA-N
MW352.44 g/mol
LogP5.43
Rot. Bonds4

About N-methyl-6-(2-prop-1-en-2-ylphenyl)-2-pyridin-3-ylquinazolin-4-amine

N-methyl-6-(2-prop-1-en-2-ylphenyl)-2-pyridin-3-ylquinazolin-4-amine (PubChem CID 135128099) has the molecular formula C23H20N4 and a molecular weight of 352.44 g/mol. Its IUPAC name is N-methyl-6-(2-prop-1-en-2-ylphenyl)-2-pyridin-3-ylquinazolin-4-amine.

Molecular Properties

Compound NameN-methyl-6-(2-prop-1-en-2-ylphenyl)-2-pyridin-3-ylquinazolin-4-amine
PubChem CID135128099
Molecular FormulaC23H20N4
Molecular Weight352.44 g/mol
Exact Mass352.17
IUPAC NameN-methyl-6-(2-prop-1-en-2-ylphenyl)-2-pyridin-3-ylquinazolin-4-amine
SMILESC=C(C)c1ccccc1-c1ccc2nc(-c3cccnc3)nc(NC)c2c1
InChIInChI=1S/C23H20N4/c1-15(2)18-8-4-5-9-19(18)16-10-11-21-20(13-16)23(24-3)27-22(26-21)17-7-6-12-25-14-17/h4-14H,1H2,2-3H3,(H,24,26,27)
InChIKeyYGFQDTIURXPHKH-UHFFFAOYSA-N
XLogP5.43
TPSA50.70 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500352.44
LogP ≤ 55.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-methyl-6-(2-prop-1-en-2-ylphenyl)-2-pyridin-3-ylquinazolin-4-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-methyl-6-(4-methylphenyl)-2-pyridin-3-ylquinazolin-4-amine
CID 71180199
3-[4-(methylamino)-2-pyridin-3-ylquinazolin-6-yl]phenol
CID 67297993
N-methyl-2-[2-[4-(methylamino)-2-pyridin-3-ylquinazolin-6-yl]phenoxy]acetamide
CID 71274798
N,6-dimethyl-2-pyridin-3-ylquinazolin-4-amine;ethane
CID 144500540
N-methyl-6-(3-methylsulfinylphenyl)-2-pyridin-3-ylquinazolin-4-amine
CID 71274519
1-[8-[4-(methylamino)-2-pyridin-3-ylquinazolin-6-yl]-3,4-dihydro-1H-isoquinolin-2-yl]ethanone
CID 71153136
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
6-(2-fluoro-4-methylsulfonylphenyl)-N-methyl-2-pyridin-3-ylquinazolin-4-amine
CID 71180643
N-methyl-6-(3-nitrophenyl)-2-pyridin-3-ylquinazolin-4-amine
CID 89347896
N-methyl-2-pyridin-3-ylquinazolin-4-amine;propane
CID 142952952
6-[4-fluoro-3-(trifluoromethyl)phenyl]-N-methyl-2-pyridin-3-ylquinazolin-4-amine
CID 71274599

Frequently Asked Questions

What is the IUPAC name of N-methyl-6-(2-prop-1-en-2-ylphenyl)-2-pyridin-3-ylquinazolin-4-amine?
The IUPAC name of N-methyl-6-(2-prop-1-en-2-ylphenyl)-2-pyridin-3-ylquinazolin-4-amine (CID 135128099) is N-methyl-6-(2-prop-1-en-2-ylphenyl)-2-pyridin-3-ylquinazolin-4-amine.
What is the SMILES notation for N-methyl-6-(2-prop-1-en-2-ylphenyl)-2-pyridin-3-ylquinazolin-4-amine?
The canonical SMILES for N-methyl-6-(2-prop-1-en-2-ylphenyl)-2-pyridin-3-ylquinazolin-4-amine is C=C(C)c1ccccc1-c1ccc2nc(-c3cccnc3)nc(NC)c2c1.
What is the InChIKey of N-methyl-6-(2-prop-1-en-2-ylphenyl)-2-pyridin-3-ylquinazolin-4-amine?
The InChIKey is YGFQDTIURXPHKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H20N4/c1-15(2)18-8-4-5-9-19(18)16-10-11-21-20(13-16)23(24-3)27-22(26-21)17-7-6-12-25-14-17/h4-14H,1H2,2-3H3,(H,24,26,27).
What are the key properties of N-methyl-6-(2-prop-1-en-2-ylphenyl)-2-pyridin-3-ylquinazolin-4-amine?
N-methyl-6-(2-prop-1-en-2-ylphenyl)-2-pyridin-3-ylquinazolin-4-amine has a molecular weight of 352.44 g/mol, XLogP of 5.43, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-6-(2-prop-1-en-2-ylphenyl)-2-pyridin-3-ylquinazolin-4-amine is sourced from PubChem (CID 135128099), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).