4-amino-6-methylpyridine-3-carbonitrile;5-chloro-2-ethyl-3-phenylquinazolin-4-one

C23H20ClN5O — CID 144954490

IUPAC4-amino-6-methylpyridine-3-carbonitrile;5-chloro-2-ethyl-3-phenylquinazolin-4-one
SMILESCCc1nc2cccc(Cl)c2c(=O)n1-c1ccccc1.Cc1cc(N)c(C#N)cn1
InChIInChI=1S/C16H13ClN2O.C7H7N3/c1-2-14-18-13-10-6-9-12(17)15(13)16(20)19(14)11-7-4-3-5-8-11;1-5-2-7(9)6(3-8)4-10-5/h3-10H,2H2,1H3;2,4H,1H3,(H2,9,10)
InChIKeyRHXNLWSQWQLYIE-UHFFFAOYSA-N
MW417.90 g/mol
LogP4.45
Rot. Bonds2

About 4-amino-6-methylpyridine-3-carbonitrile;5-chloro-2-ethyl-3-phenylquinazolin-4-one

4-amino-6-methylpyridine-3-carbonitrile;5-chloro-2-ethyl-3-phenylquinazolin-4-one (PubChem CID 144954490) has the molecular formula C23H20ClN5O and a molecular weight of 417.90 g/mol. Its IUPAC name is 4-amino-6-methylpyridine-3-carbonitrile;5-chloro-2-ethyl-3-phenylquinazolin-4-one.

Molecular Properties

Compound Name4-amino-6-methylpyridine-3-carbonitrile;5-chloro-2-ethyl-3-phenylquinazolin-4-one
PubChem CID144954490
Molecular FormulaC23H20ClN5O
Molecular Weight417.90 g/mol
Exact Mass417.14
IUPAC Name4-amino-6-methylpyridine-3-carbonitrile;5-chloro-2-ethyl-3-phenylquinazolin-4-one
SMILESCCc1nc2cccc(Cl)c2c(=O)n1-c1ccccc1.Cc1cc(N)c(C#N)cn1
InChIInChI=1S/C16H13ClN2O.C7H7N3/c1-2-14-18-13-10-6-9-12(17)15(13)16(20)19(14)11-7-4-3-5-8-11;1-5-2-7(9)6(3-8)4-10-5/h3-10H,2H2,1H3;2,4H,1H3,(H2,9,10)
InChIKeyRHXNLWSQWQLYIE-UHFFFAOYSA-N
XLogP4.45
TPSA97.59 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500417.90
LogP ≤ 54.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-ethyl-4-oxo-3-phenylquinazoline-5-carbonitrile
CID 123768528
2,4-diaminopyrimidine-5-carbonitrile;2-ethyl-5-(4-methylphenyl)-3-phenylquinazolin-4-one
CID 144954835
3-aminopyrazine-2-carboxamide;5-chloro-2-ethyl-3-phenylquinazolin-4-one
CID 144824068
5-chloro-2-ethyl-3-phenylquinazolin-4-one;4-(2,4-diaminopyrimidin-5-yl)-2-fluorophenol
CID 144954554
2-amino-4-[[(1R)-1-(5-chloro-4-oxo-3-phenylquinazolin-2-yl)ethyl]amino]pyrimidine-5-carbonitrile
CID 118494006
2,4-diaminopyrimidine-5-carbonitrile;2-ethyl-5-(4-methoxypyrimidin-2-yl)-3-phenylquinazolin-4-one
CID 144954589
2-aminopyrazolo[1,5-a]pyrimidine-3-carboxamide;5-chloro-2-ethyl-3-phenylquinazolin-4-one
CID 144824115
5-but-1-ynyl-2-ethyl-3-phenylquinazolin-4-one
CID 144824418
3-(6-amino-3-pyridinyl)-5-chloro-2-propylquinazolin-4-one
CID 134364823
2-amino-4-[1-[5-chloro-3-[3-chloro-5-(difluoromethyl)phenyl]-4-oxoquinazolin-2-yl]ethyl]pyrimidine-5-carbonitrile
CID 150598417
5-[2-(1,5-dimethylpyrazol-4-yl)ethynyl]-2-ethyl-3-phenylquinazolin-4-one
CID 123948593
2,4-diamino-6-[(5-chloro-4-oxo-3-phenylquinazolin-2-yl)-ethylamino]pyrimidine-5-carbonitrile
CID 90236765

Frequently Asked Questions

What is the IUPAC name of 4-amino-6-methylpyridine-3-carbonitrile;5-chloro-2-ethyl-3-phenylquinazolin-4-one?
The IUPAC name of 4-amino-6-methylpyridine-3-carbonitrile;5-chloro-2-ethyl-3-phenylquinazolin-4-one (CID 144954490) is 4-amino-6-methylpyridine-3-carbonitrile;5-chloro-2-ethyl-3-phenylquinazolin-4-one.
What is the SMILES notation for 4-amino-6-methylpyridine-3-carbonitrile;5-chloro-2-ethyl-3-phenylquinazolin-4-one?
The canonical SMILES for 4-amino-6-methylpyridine-3-carbonitrile;5-chloro-2-ethyl-3-phenylquinazolin-4-one is CCc1nc2cccc(Cl)c2c(=O)n1-c1ccccc1.Cc1cc(N)c(C#N)cn1.
What is the InChIKey of 4-amino-6-methylpyridine-3-carbonitrile;5-chloro-2-ethyl-3-phenylquinazolin-4-one?
The InChIKey is RHXNLWSQWQLYIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13ClN2O.C7H7N3/c1-2-14-18-13-10-6-9-12(17)15(13)16(20)19(14)11-7-4-3-5-8-11;1-5-2-7(9)6(3-8)4-10-5/h3-10H,2H2,1H3;2,4H,1H3,(H2,9,10).
What are the key properties of 4-amino-6-methylpyridine-3-carbonitrile;5-chloro-2-ethyl-3-phenylquinazolin-4-one?
4-amino-6-methylpyridine-3-carbonitrile;5-chloro-2-ethyl-3-phenylquinazolin-4-one has a molecular weight of 417.90 g/mol, XLogP of 4.45, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-6-methylpyridine-3-carbonitrile;5-chloro-2-ethyl-3-phenylquinazolin-4-one is sourced from PubChem (CID 144954490), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).