3-[ethyl-(2-pyridin-3-ylquinazolin-4-yl)amino]propanenitrile

C18H17N5 — CID 133344856

IUPAC3-[ethyl-(2-pyridin-3-ylquinazolin-4-yl)amino]propanenitrile
SMILESCCN(CCC#N)c1nc(-c2cccnc2)nc2ccccc12
InChIInChI=1S/C18H17N5/c1-2-23(12-6-10-19)18-15-8-3-4-9-16(15)21-17(22-18)14-7-5-11-20-13-14/h3-5,7-9,11,13H,2,6,12H2,1H3
InChIKeyWOBIRBKLIORCDT-UHFFFAOYSA-N
MW303.37 g/mol
LogP3.43
Rot. Bonds5

About 3-[ethyl-(2-pyridin-3-ylquinazolin-4-yl)amino]propanenitrile

3-[ethyl-(2-pyridin-3-ylquinazolin-4-yl)amino]propanenitrile (PubChem CID 133344856) has the molecular formula C18H17N5 and a molecular weight of 303.37 g/mol. Its IUPAC name is 3-[ethyl-(2-pyridin-3-ylquinazolin-4-yl)amino]propanenitrile.

Molecular Properties

Compound Name3-[ethyl-(2-pyridin-3-ylquinazolin-4-yl)amino]propanenitrile
PubChem CID133344856
Molecular FormulaC18H17N5
Molecular Weight303.37 g/mol
Exact Mass303.15
IUPAC Name3-[ethyl-(2-pyridin-3-ylquinazolin-4-yl)amino]propanenitrile
SMILESCCN(CCC#N)c1nc(-c2cccnc2)nc2ccccc12
InChIInChI=1S/C18H17N5/c1-2-23(12-6-10-19)18-15-8-3-4-9-16(15)21-17(22-18)14-7-5-11-20-13-14/h3-5,7-9,11,13H,2,6,12H2,1H3
InChIKeyWOBIRBKLIORCDT-UHFFFAOYSA-N
XLogP3.43
TPSA65.70 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.37
LogP ≤ 53.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

ethyl N-[2-[ethyl-(2-pyridin-3-ylquinazolin-4-yl)amino]acetyl]carbamate
CID 9113445
N-benzyl-N-methyl-2-pyridin-3-ylquinazolin-4-amine
CID 7765679
N-methyl-2-pyridin-3-ylquinazolin-4-amine;propane
CID 142952952
3-[methyl-(2-pyridin-3-ylquinazolin-4-yl)amino]-N-phenylpropanamide
CID 137469993
2-(4-chlorophenyl)-N,N-diethylquinazolin-4-amine
CID 899344
2-[[2-(4-chlorophenyl)quinazolin-4-yl]-ethylamino]ethanol
CID 23988114
N,N-diethyl-2-(4-methoxyphenyl)quinazolin-4-amine
CID 20963147
N-methyl-N-[(1-methylpiperidin-4-yl)methyl]-2-pyridin-3-ylquinazolin-4-amine
CID 133288141
N-prop-2-ynyl-2-pyridin-3-ylquinazolin-4-amine
CID 9251922
2-[4-(diethylamino)phenyl]-N,N-dimethylquinazolin-4-amine
CID 130369805
potassium 4-(diethylamino)-6-phenyl-2-pyridin-3-ylpyrimidine-5-carboxylate
CID 139881691
N,N-dimethyl-2-phenylquinazolin-4-amine;ethane
CID 90692707

Frequently Asked Questions

What is the IUPAC name of 3-[ethyl-(2-pyridin-3-ylquinazolin-4-yl)amino]propanenitrile?
The IUPAC name of 3-[ethyl-(2-pyridin-3-ylquinazolin-4-yl)amino]propanenitrile (CID 133344856) is 3-[ethyl-(2-pyridin-3-ylquinazolin-4-yl)amino]propanenitrile.
What is the SMILES notation for 3-[ethyl-(2-pyridin-3-ylquinazolin-4-yl)amino]propanenitrile?
The canonical SMILES for 3-[ethyl-(2-pyridin-3-ylquinazolin-4-yl)amino]propanenitrile is CCN(CCC#N)c1nc(-c2cccnc2)nc2ccccc12.
What is the InChIKey of 3-[ethyl-(2-pyridin-3-ylquinazolin-4-yl)amino]propanenitrile?
The InChIKey is WOBIRBKLIORCDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17N5/c1-2-23(12-6-10-19)18-15-8-3-4-9-16(15)21-17(22-18)14-7-5-11-20-13-14/h3-5,7-9,11,13H,2,6,12H2,1H3.
What are the key properties of 3-[ethyl-(2-pyridin-3-ylquinazolin-4-yl)amino]propanenitrile?
3-[ethyl-(2-pyridin-3-ylquinazolin-4-yl)amino]propanenitrile has a molecular weight of 303.37 g/mol, XLogP of 3.43, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[ethyl-(2-pyridin-3-ylquinazolin-4-yl)amino]propanenitrile is sourced from PubChem (CID 133344856), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).