6-[(2Z)-2-(8-amino-6-fluoro-5-methyl-3,4-dihydro-2H-naphthalen-1-ylidene)propyl]-4-(1-hydroxyethyl)-3-methyl-1H-pyridin-2-one

C22H27FN2O2 — CID 170034018

IUPAC6-[(2Z)-2-(8-amino-6-fluoro-5-methyl-3,4-dihydro-2H-naphthalen-1-ylidene)propyl]-4-(1-hydroxyethyl)-3-methyl-1H-pyridin-2-one
SMILESC/C(Cc1cc(C(C)O)c(C)c(=O)[nH]1)=C1\CCCc2c(C)c(F)cc(N)c21
InChIInChI=1S/C22H27FN2O2/c1-11(8-15-9-18(14(4)26)13(3)22(27)25-15)16-6-5-7-17-12(2)19(23)10-20(24)21(16)17/h9-10,14,26H,5-8,24H2,1-4H3,(H,25,27)/b16-11-
InChIKeySVPUZVKICCLNDM-WJDWOHSUSA-N
MW370.47 g/mol
LogP4.12
Rot. Bonds3

About 6-[(2Z)-2-(8-amino-6-fluoro-5-methyl-3,4-dihydro-2H-naphthalen-1-ylidene)propyl]-4-(1-hydroxyethyl)-3-methyl-1H-pyridin-2-one

6-[(2Z)-2-(8-amino-6-fluoro-5-methyl-3,4-dihydro-2H-naphthalen-1-ylidene)propyl]-4-(1-hydroxyethyl)-3-methyl-1H-pyridin-2-one (PubChem CID 170034018) has the molecular formula C22H27FN2O2 and a molecular weight of 370.47 g/mol. Its IUPAC name is 6-[(2Z)-2-(8-amino-6-fluoro-5-methyl-3,4-dihydro-2H-naphthalen-1-ylidene)propyl]-4-(1-hydroxyethyl)-3-methyl-1H-pyridin-2-one.

Molecular Properties

Compound Name6-[(2Z)-2-(8-amino-6-fluoro-5-methyl-3,4-dihydro-2H-naphthalen-1-ylidene)propyl]-4-(1-hydroxyethyl)-3-methyl-1H-pyridin-2-one
PubChem CID170034018
Molecular FormulaC22H27FN2O2
Molecular Weight370.47 g/mol
Exact Mass370.21
IUPAC Name6-[(2Z)-2-(8-amino-6-fluoro-5-methyl-3,4-dihydro-2H-naphthalen-1-ylidene)propyl]-4-(1-hydroxyethyl)-3-methyl-1H-pyridin-2-one
SMILESC/C(Cc1cc(C(C)O)c(C)c(=O)[nH]1)=C1\CCCc2c(C)c(F)cc(N)c21
InChIInChI=1S/C22H27FN2O2/c1-11(8-15-9-18(14(4)26)13(3)22(27)25-15)16-6-5-7-17-12(2)19(23)10-20(24)21(16)17/h9-10,14,26H,5-8,24H2,1-4H3,(H,25,27)/b16-11-
InChIKeySVPUZVKICCLNDM-WJDWOHSUSA-N
XLogP4.12
TPSA79.11 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.47
LogP ≤ 54.12
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 6-[(2Z)-2-(8-amino-6-fluoro-5-methyl-3,4-dihydro-2H-naphthalen-1-ylidene)propyl]-4-(1-hydroxyethyl)-3-methyl-1H-pyridin-2-one?
The IUPAC name of 6-[(2Z)-2-(8-amino-6-fluoro-5-methyl-3,4-dihydro-2H-naphthalen-1-ylidene)propyl]-4-(1-hydroxyethyl)-3-methyl-1H-pyridin-2-one (CID 170034018) is 6-[(2Z)-2-(8-amino-6-fluoro-5-methyl-3,4-dihydro-2H-naphthalen-1-ylidene)propyl]-4-(1-hydroxyethyl)-3-methyl-1H-pyridin-2-one.
What is the SMILES notation for 6-[(2Z)-2-(8-amino-6-fluoro-5-methyl-3,4-dihydro-2H-naphthalen-1-ylidene)propyl]-4-(1-hydroxyethyl)-3-methyl-1H-pyridin-2-one?
The canonical SMILES for 6-[(2Z)-2-(8-amino-6-fluoro-5-methyl-3,4-dihydro-2H-naphthalen-1-ylidene)propyl]-4-(1-hydroxyethyl)-3-methyl-1H-pyridin-2-one is C/C(Cc1cc(C(C)O)c(C)c(=O)[nH]1)=C1\CCCc2c(C)c(F)cc(N)c21.
What is the InChIKey of 6-[(2Z)-2-(8-amino-6-fluoro-5-methyl-3,4-dihydro-2H-naphthalen-1-ylidene)propyl]-4-(1-hydroxyethyl)-3-methyl-1H-pyridin-2-one?
The InChIKey is SVPUZVKICCLNDM-WJDWOHSUSA-N. The full InChI is InChI=1S/C22H27FN2O2/c1-11(8-15-9-18(14(4)26)13(3)22(27)25-15)16-6-5-7-17-12(2)19(23)10-20(24)21(16)17/h9-10,14,26H,5-8,24H2,1-4H3,(H,25,27)/b16-11-.
What are the key properties of 6-[(2Z)-2-(8-amino-6-fluoro-5-methyl-3,4-dihydro-2H-naphthalen-1-ylidene)propyl]-4-(1-hydroxyethyl)-3-methyl-1H-pyridin-2-one?
6-[(2Z)-2-(8-amino-6-fluoro-5-methyl-3,4-dihydro-2H-naphthalen-1-ylidene)propyl]-4-(1-hydroxyethyl)-3-methyl-1H-pyridin-2-one has a molecular weight of 370.47 g/mol, XLogP of 4.12, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(2Z)-2-(8-amino-6-fluoro-5-methyl-3,4-dihydro-2H-naphthalen-1-ylidene)propyl]-4-(1-hydroxyethyl)-3-methyl-1H-pyridin-2-one is sourced from PubChem (CID 170034018), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).