N-[6-(dimethylamino)-3-pyridinyl]-3-(4-oxo-3H-quinazolin-2-yl)propanamide

C18H19N5O2 — CID 135570381

IUPACN-[6-(dimethylamino)-3-pyridinyl]-3-(4-oxo-3H-quinazolin-2-yl)propanamide
SMILESCN(C)c1ccc(NC(=O)CCc2nc3ccccc3c(=O)[nH]2)cn1
InChIInChI=1S/C18H19N5O2/c1-23(2)16-9-7-12(11-19-16)20-17(24)10-8-15-21-14-6-4-3-5-13(14)18(25)22-15/h3-7,9,11H,8,10H2,1-2H3,(H,20,24)(H,21,22,25)
InChIKeyYNZZIBRQCSQDOM-UHFFFAOYSA-N
MW337.38 g/mol
LogP1.96
Rot. Bonds5

About N-[6-(dimethylamino)-3-pyridinyl]-3-(4-oxo-3H-quinazolin-2-yl)propanamide

N-[6-(dimethylamino)-3-pyridinyl]-3-(4-oxo-3H-quinazolin-2-yl)propanamide (PubChem CID 135570381) has the molecular formula C18H19N5O2 and a molecular weight of 337.38 g/mol. Its IUPAC name is N-[6-(dimethylamino)-3-pyridinyl]-3-(4-oxo-3H-quinazolin-2-yl)propanamide.

Molecular Properties

Compound NameN-[6-(dimethylamino)-3-pyridinyl]-3-(4-oxo-3H-quinazolin-2-yl)propanamide
PubChem CID135570381
Molecular FormulaC18H19N5O2
Molecular Weight337.38 g/mol
Exact Mass337.15
IUPAC NameN-[6-(dimethylamino)-3-pyridinyl]-3-(4-oxo-3H-quinazolin-2-yl)propanamide
SMILESCN(C)c1ccc(NC(=O)CCc2nc3ccccc3c(=O)[nH]2)cn1
InChIInChI=1S/C18H19N5O2/c1-23(2)16-9-7-12(11-19-16)20-17(24)10-8-15-21-14-6-4-3-5-13(14)18(25)22-15/h3-7,9,11H,8,10H2,1-2H3,(H,20,24)(H,21,22,25)
InChIKeyYNZZIBRQCSQDOM-UHFFFAOYSA-N
XLogP1.96
TPSA90.98 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.38
LogP ≤ 51.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-(4-anilinophenyl)-3-(4-oxo-3H-quinazolin-2-yl)propanamide
CID 137258775
4-(4-oxo-3H-quinazolin-2-yl)-N-quinolin-3-ylbutanamide
CID 135939873
N-(4-bromo-3-methylphenyl)-3-(4-oxo-3H-quinazolin-2-yl)propanamide
CID 135767361
N-(5-methyl-1,3-thiazol-2-yl)-3-(4-oxo-3H-quinazolin-2-yl)propanamide
CID 135819555
N-(3-hydroxy-2-pyridinyl)-3-(4-oxo-3H-quinazolin-2-yl)propanamide
CID 135711256
N-[6-(dimethylamino)-3-pyridinyl]-3-(2,4-dioxoquinazolin-1-yl)propanamide
CID 30296173
N-[3-(dimethylsulfamoyl)-4-ethoxyphenyl]-3-(4-oxo-3H-quinazolin-2-yl)propanamide
CID 135869204
N-[4-(4-bromophenoxy)phenyl]-3-(4-oxo-3H-quinazolin-2-yl)propanamide
CID 135893495
N-[4-(4,6-dimethylpyrimidin-2-yl)sulfanylphenyl]-3-(4-oxo-3H-quinazolin-2-yl)propanamide
CID 137278194
N-methyl-N-[2-(4-methylanilino)-2-oxoethyl]-4-(4-oxo-3H-quinazolin-2-yl)butanamide
CID 135972244
N-(2-methylbutan-2-yl)-3-(4-oxo-3H-quinazolin-2-yl)propanamide
CID 135522437
N-(1H-benzimidazol-2-yl)-3-(4-oxo-3H-quinazolin-2-yl)propanamide
CID 135830175

Frequently Asked Questions

What is the IUPAC name of N-[6-(dimethylamino)-3-pyridinyl]-3-(4-oxo-3H-quinazolin-2-yl)propanamide?
The IUPAC name of N-[6-(dimethylamino)-3-pyridinyl]-3-(4-oxo-3H-quinazolin-2-yl)propanamide (CID 135570381) is N-[6-(dimethylamino)-3-pyridinyl]-3-(4-oxo-3H-quinazolin-2-yl)propanamide.
What is the SMILES notation for N-[6-(dimethylamino)-3-pyridinyl]-3-(4-oxo-3H-quinazolin-2-yl)propanamide?
The canonical SMILES for N-[6-(dimethylamino)-3-pyridinyl]-3-(4-oxo-3H-quinazolin-2-yl)propanamide is CN(C)c1ccc(NC(=O)CCc2nc3ccccc3c(=O)[nH]2)cn1.
What is the InChIKey of N-[6-(dimethylamino)-3-pyridinyl]-3-(4-oxo-3H-quinazolin-2-yl)propanamide?
The InChIKey is YNZZIBRQCSQDOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N5O2/c1-23(2)16-9-7-12(11-19-16)20-17(24)10-8-15-21-14-6-4-3-5-13(14)18(25)22-15/h3-7,9,11H,8,10H2,1-2H3,(H,20,24)(H,21,22,25).
What are the key properties of N-[6-(dimethylamino)-3-pyridinyl]-3-(4-oxo-3H-quinazolin-2-yl)propanamide?
N-[6-(dimethylamino)-3-pyridinyl]-3-(4-oxo-3H-quinazolin-2-yl)propanamide has a molecular weight of 337.38 g/mol, XLogP of 1.96, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-(dimethylamino)-3-pyridinyl]-3-(4-oxo-3H-quinazolin-2-yl)propanamide is sourced from PubChem (CID 135570381), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).