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

C23H22N4O — CID 71179891

IUPACN-methyl-6-(4-propoxyphenyl)-2-pyridin-3-ylquinazolin-4-amine
SMILESCCCOc1ccc(-c2ccc3nc(-c4cccnc4)nc(NC)c3c2)cc1
InChIInChI=1S/C23H22N4O/c1-3-13-28-19-9-6-16(7-10-19)17-8-11-21-20(14-17)23(24-2)27-22(26-21)18-5-4-12-25-15-18/h4-12,14-15H,3,13H2,1-2H3,(H,24,26,27)
InChIKeyVTBJZAWKQSJOMG-UHFFFAOYSA-N
MW370.46 g/mol
LogP5.19
Rot. Bonds6

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

N-methyl-6-(4-propoxyphenyl)-2-pyridin-3-ylquinazolin-4-amine (PubChem CID 71179891) has the molecular formula C23H22N4O and a molecular weight of 370.46 g/mol. Its IUPAC name is N-methyl-6-(4-propoxyphenyl)-2-pyridin-3-ylquinazolin-4-amine.

Molecular Properties

Compound NameN-methyl-6-(4-propoxyphenyl)-2-pyridin-3-ylquinazolin-4-amine
PubChem CID71179891
Molecular FormulaC23H22N4O
Molecular Weight370.46 g/mol
Exact Mass370.18
IUPAC NameN-methyl-6-(4-propoxyphenyl)-2-pyridin-3-ylquinazolin-4-amine
SMILESCCCOc1ccc(-c2ccc3nc(-c4cccnc4)nc(NC)c3c2)cc1
InChIInChI=1S/C23H22N4O/c1-3-13-28-19-9-6-16(7-10-19)17-8-11-21-20(14-17)23(24-2)27-22(26-21)18-5-4-12-25-15-18/h4-12,14-15H,3,13H2,1-2H3,(H,24,26,27)
InChIKeyVTBJZAWKQSJOMG-UHFFFAOYSA-N
XLogP5.19
TPSA59.93 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500370.46
LogP ≤ 55.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-methyl-6-(4-methylphenyl)-2-pyridin-3-ylquinazolin-4-amine
CID 71180199
N-methyl-2-pyridin-3-yl-6-[3-(2-pyrrol-1-ylethoxy)phenyl]quinazolin-4-amine
CID 71179868
N-methyl-2-pyridin-3-yl-6-[3-(5,5,5-trifluoropentoxy)phenyl]quinazolin-4-amine
CID 146736740
6-(5-methoxy-3-pyridinyl)-N-methyl-2-pyridin-3-ylquinazolin-4-amine
CID 71179842
6-(3-fluoro-5-methoxyphenyl)-N-methyl-2-pyridin-3-ylquinazolin-4-amine
CID 71179890
N-methyl-6-[3-[2-[methyl(2,2,2-trifluoroethyl)amino]ethoxy]phenyl]-2-pyridin-3-ylquinazolin-4-amine
CID 71274687
3-[4-(methylamino)-2-pyridin-3-ylquinazolin-6-yl]phenol
CID 67297993
6-(3-fluoro-4-iodophenyl)-N-methyl-2-pyridin-3-ylquinazolin-4-amine
CID 122494265
N-methyl-6-[4-[(2-morpholin-4-yl-4-pyridinyl)methoxy]phenyl]-2-pyridin-3-ylquinazolin-4-amine
CID 71181254
4-cyclohexyl-1-[4-[4-(methylamino)-2-pyridin-3-ylquinazolin-6-yl]phenoxy]butan-2-one
CID 144500433
N,6-dimethyl-2-pyridin-3-ylquinazolin-4-amine;ethane
CID 144500540
N-methyl-2-pyridin-3-ylquinazolin-4-amine;propane
CID 142952952

Frequently Asked Questions

What is the IUPAC name of N-methyl-6-(4-propoxyphenyl)-2-pyridin-3-ylquinazolin-4-amine?
The IUPAC name of N-methyl-6-(4-propoxyphenyl)-2-pyridin-3-ylquinazolin-4-amine (CID 71179891) is N-methyl-6-(4-propoxyphenyl)-2-pyridin-3-ylquinazolin-4-amine.
What is the SMILES notation for N-methyl-6-(4-propoxyphenyl)-2-pyridin-3-ylquinazolin-4-amine?
The canonical SMILES for N-methyl-6-(4-propoxyphenyl)-2-pyridin-3-ylquinazolin-4-amine is CCCOc1ccc(-c2ccc3nc(-c4cccnc4)nc(NC)c3c2)cc1.
What is the InChIKey of N-methyl-6-(4-propoxyphenyl)-2-pyridin-3-ylquinazolin-4-amine?
The InChIKey is VTBJZAWKQSJOMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22N4O/c1-3-13-28-19-9-6-16(7-10-19)17-8-11-21-20(14-17)23(24-2)27-22(26-21)18-5-4-12-25-15-18/h4-12,14-15H,3,13H2,1-2H3,(H,24,26,27).
What are the key properties of N-methyl-6-(4-propoxyphenyl)-2-pyridin-3-ylquinazolin-4-amine?
N-methyl-6-(4-propoxyphenyl)-2-pyridin-3-ylquinazolin-4-amine has a molecular weight of 370.46 g/mol, XLogP of 5.19, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-6-(4-propoxyphenyl)-2-pyridin-3-ylquinazolin-4-amine is sourced from PubChem (CID 71179891), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).