N-[1-(6-cyano-4-methylpyridazin-3-yl)ethyl]-2-(6-fluoro-2-oxospiro[1H-quinazoline-4,1'-cyclopropane]-3-yl)acetamide

C20H19FN6O2 — CID 171497267

IUPACN-[1-(6-cyano-4-methylpyridazin-3-yl)ethyl]-2-(6-fluoro-2-oxospiro[1H-quinazoline-4,1'-cyclopropane]-3-yl)acetamide
SMILESCc1cc(C#N)nnc1C(C)NC(=O)CN1C(=O)Nc2ccc(F)cc2C12CC2
InChIInChI=1S/C20H19FN6O2/c1-11-7-14(9-22)25-26-18(11)12(2)23-17(28)10-27-19(29)24-16-4-3-13(21)8-15(16)20(27)5-6-20/h3-4,7-8,12H,5-6,10H2,1-2H3,(H,23,28)(H,24,29)
InChIKeyVMLNIZAFIZWMND-UHFFFAOYSA-N
MW394.41 g/mol
LogP2.51
Rot. Bonds4

About N-[1-(6-cyano-4-methylpyridazin-3-yl)ethyl]-2-(6-fluoro-2-oxospiro[1H-quinazoline-4,1'-cyclopropane]-3-yl)acetamide

N-[1-(6-cyano-4-methylpyridazin-3-yl)ethyl]-2-(6-fluoro-2-oxospiro[1H-quinazoline-4,1'-cyclopropane]-3-yl)acetamide (PubChem CID 171497267) has the molecular formula C20H19FN6O2 and a molecular weight of 394.41 g/mol. Its IUPAC name is N-[1-(6-cyano-4-methylpyridazin-3-yl)ethyl]-2-(6-fluoro-2-oxospiro[1H-quinazoline-4,1'-cyclopropane]-3-yl)acetamide.

Molecular Properties

Compound NameN-[1-(6-cyano-4-methylpyridazin-3-yl)ethyl]-2-(6-fluoro-2-oxospiro[1H-quinazoline-4,1'-cyclopropane]-3-yl)acetamide
PubChem CID171497267
Molecular FormulaC20H19FN6O2
Molecular Weight394.41 g/mol
Exact Mass394.16
IUPAC NameN-[1-(6-cyano-4-methylpyridazin-3-yl)ethyl]-2-(6-fluoro-2-oxospiro[1H-quinazoline-4,1'-cyclopropane]-3-yl)acetamide
SMILESCc1cc(C#N)nnc1C(C)NC(=O)CN1C(=O)Nc2ccc(F)cc2C12CC2
InChIInChI=1S/C20H19FN6O2/c1-11-7-14(9-22)25-26-18(11)12(2)23-17(28)10-27-19(29)24-16-4-3-13(21)8-15(16)20(27)5-6-20/h3-4,7-8,12H,5-6,10H2,1-2H3,(H,23,28)(H,24,29)
InChIKeyVMLNIZAFIZWMND-UHFFFAOYSA-N
XLogP2.51
TPSA111.01 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.41
LogP ≤ 52.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(1R)-1-(5-cyano-3-methylpyrazin-2-yl)ethyl]-2-(6-fluoro-2-oxospiro[1H-quinazoline-4,1'-cyclopropane]-3-yl)acetamide
CID 171497613
N-[(1R)-1-(5-cyanopyrazin-2-yl)ethyl]-2-(5,6-difluoro-2-oxospiro[1H-quinazoline-4,1'-cyclopropane]-3-yl)acetamide
CID 171496996
N-[(1R)-1-(5-cyano-3-fluoro-2-pyridinyl)ethyl]-2-(2-oxospiro[1H-pyrido[3,2-d]pyrimidine-4,1'-cyclopropane]-3-yl)acetamide
CID 171497341
N-[(1R)-1-(3,5-difluoro-2-pyridinyl)ethyl]-2-(6-methoxy-2-oxospiro[1H-pyrido[3,2-d]pyrimidine-4,1'-cyclopropane]-3-yl)acetamide
CID 171497493
N-[1-(5-cyano-3-methylpyrazin-2-yl)ethyl]-2-(5,6-difluoro-2-oxo-1,4-dihydroquinazolin-3-yl)acetamide
CID 171497555
N-[(1S)-1-(5-cyano-3-methylpyrazin-2-yl)ethyl]-2-(5,6-difluoro-2-oxo-1,4-dihydroquinazolin-3-yl)acetamide
CID 171497044
(2R)-N-[(1S)-1-(3,5-difluoro-2-pyridinyl)ethyl]-2-(6-fluoro-2-oxospiro[1H-quinazoline-4,1'-cyclopropane]-3-yl)-4-hydroxy-4-methylpentanamide
CID 177351029
N-[(1S)-1-(5-cyanopyrazin-2-yl)ethyl]-2-(5,6-difluoro-2-oxo-1,4-dihydroquinazolin-3-yl)acetamide;molecular hydrogen
CID 171497049
2-(5-cyano-6-fluoro-2-oxo-1,4-dihydroquinazolin-3-yl)-N-[(1R)-1-(2,4-difluorophenyl)-2-hydroxyethyl]acetamide
CID 171497525
2-(5,6-difluoro-2-oxo-1,4-dihydroquinazolin-3-yl)-N-[1-(3,5-difluoro-2-pyridinyl)ethyl]acetamide
CID 171497423
N-[(1R)-1-(2-fluoro-4-methylphenyl)ethyl]-2-(6-fluoro-2-oxo-1,4-dihydroquinazolin-3-yl)acetamide
CID 171497300
N-[1-(2,4-difluorophenyl)ethyl]-2-(6-fluoro-2-oxo-1,4-dihydroquinazolin-3-yl)acetamide;2-methylpropane
CID 171497640

Frequently Asked Questions

What is the IUPAC name of N-[1-(6-cyano-4-methylpyridazin-3-yl)ethyl]-2-(6-fluoro-2-oxospiro[1H-quinazoline-4,1'-cyclopropane]-3-yl)acetamide?
The IUPAC name of N-[1-(6-cyano-4-methylpyridazin-3-yl)ethyl]-2-(6-fluoro-2-oxospiro[1H-quinazoline-4,1'-cyclopropane]-3-yl)acetamide (CID 171497267) is N-[1-(6-cyano-4-methylpyridazin-3-yl)ethyl]-2-(6-fluoro-2-oxospiro[1H-quinazoline-4,1'-cyclopropane]-3-yl)acetamide.
What is the SMILES notation for N-[1-(6-cyano-4-methylpyridazin-3-yl)ethyl]-2-(6-fluoro-2-oxospiro[1H-quinazoline-4,1'-cyclopropane]-3-yl)acetamide?
The canonical SMILES for N-[1-(6-cyano-4-methylpyridazin-3-yl)ethyl]-2-(6-fluoro-2-oxospiro[1H-quinazoline-4,1'-cyclopropane]-3-yl)acetamide is Cc1cc(C#N)nnc1C(C)NC(=O)CN1C(=O)Nc2ccc(F)cc2C12CC2.
What is the InChIKey of N-[1-(6-cyano-4-methylpyridazin-3-yl)ethyl]-2-(6-fluoro-2-oxospiro[1H-quinazoline-4,1'-cyclopropane]-3-yl)acetamide?
The InChIKey is VMLNIZAFIZWMND-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19FN6O2/c1-11-7-14(9-22)25-26-18(11)12(2)23-17(28)10-27-19(29)24-16-4-3-13(21)8-15(16)20(27)5-6-20/h3-4,7-8,12H,5-6,10H2,1-2H3,(H,23,28)(H,24,29).
What are the key properties of N-[1-(6-cyano-4-methylpyridazin-3-yl)ethyl]-2-(6-fluoro-2-oxospiro[1H-quinazoline-4,1'-cyclopropane]-3-yl)acetamide?
N-[1-(6-cyano-4-methylpyridazin-3-yl)ethyl]-2-(6-fluoro-2-oxospiro[1H-quinazoline-4,1'-cyclopropane]-3-yl)acetamide has a molecular weight of 394.41 g/mol, XLogP of 2.51, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(6-cyano-4-methylpyridazin-3-yl)ethyl]-2-(6-fluoro-2-oxospiro[1H-quinazoline-4,1'-cyclopropane]-3-yl)acetamide is sourced from PubChem (CID 171497267), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).