2-(4-tert-butyl-5-chloro-2-methylphenyl)-1H-1,6-naphthyridin-4-one

C19H19ClN2O — CID 169256145

IUPAC2-(4-tert-butyl-5-chloro-2-methylphenyl)-1H-1,6-naphthyridin-4-one
SMILESCc1cc(C(C)(C)C)c(Cl)cc1-c1cc(=O)c2cnccc2[nH]1
InChIInChI=1S/C19H19ClN2O/c1-11-7-14(19(2,3)4)15(20)8-12(11)17-9-18(23)13-10-21-6-5-16(13)22-17/h5-10H,1-4H3,(H,22,23)
InChIKeySOIYOVLLSBXKAG-UHFFFAOYSA-N
MW326.83 g/mol
LogP4.85
Rot. Bonds1

About 2-(4-tert-butyl-5-chloro-2-methylphenyl)-1H-1,6-naphthyridin-4-one

2-(4-tert-butyl-5-chloro-2-methylphenyl)-1H-1,6-naphthyridin-4-one (PubChem CID 169256145) has the molecular formula C19H19ClN2O and a molecular weight of 326.83 g/mol. Its IUPAC name is 2-(4-tert-butyl-5-chloro-2-methylphenyl)-1H-1,6-naphthyridin-4-one.

Molecular Properties

Compound Name2-(4-tert-butyl-5-chloro-2-methylphenyl)-1H-1,6-naphthyridin-4-one
PubChem CID169256145
Molecular FormulaC19H19ClN2O
Molecular Weight326.83 g/mol
Exact Mass326.12
IUPAC Name2-(4-tert-butyl-5-chloro-2-methylphenyl)-1H-1,6-naphthyridin-4-one
SMILESCc1cc(C(C)(C)C)c(Cl)cc1-c1cc(=O)c2cnccc2[nH]1
InChIInChI=1S/C19H19ClN2O/c1-11-7-14(19(2,3)4)15(20)8-12(11)17-9-18(23)13-10-21-6-5-16(13)22-17/h5-10H,1-4H3,(H,22,23)
InChIKeySOIYOVLLSBXKAG-UHFFFAOYSA-N
XLogP4.85
TPSA45.75 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.83
LogP ≤ 54.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-[5-chloro-2-methyl-4-(1,1,1-trifluoro-2-methylpropan-2-yl)phenyl]-1H-1,6-naphthyridin-4-one
CID 169257028
2-(4-tert-butyl-5-chloro-2-methylphenyl)-8-methyl-1H-1,6-naphthyridin-4-one
CID 169256185
6-(4-tert-butyl-5-chloro-2-methylphenyl)-2-methyl-3-pyridin-4-yl-1H-pyridin-4-one
CID 169250188
2-(4-tert-butyl-5-chloro-2-methylphenyl)-5-hydroxy-1H-1,7-naphthyridin-4-one
CID 169257010
2-(4-tert-butyl-5-chloro-2-methylphenyl)-1,6-dihydropyrido[2,3-d]pyridazine-4,5-dione
CID 169257050
2-[2-methyl-4-(trimethyl-λ4-sulfanyl)phenyl]-1H-1,6-naphthyridin-4-one
CID 170413062
2-(4-tert-butyl-5-chloro-2-methylphenyl)-4-oxo-1H-1,6-naphthyridine-5-carboxamide;propan-1-ol
CID 176997515
2-(4-tert-butyl-5-chloro-2-methylphenyl)-5-[(2S)-2,3-dihydroxypropoxy]-1H-1,6-naphthyridin-4-one
CID 177312061
2-(4-tert-butyl-5-chloro-2-methylphenyl)-4-oxo-1H-thieno[3,4-b]pyridine-5-carboxamide
CID 177312069
6-(4-tert-butyl-5-chloro-2-methylphenyl)-2-methyl-3-(methylsulfonimidoyl)-1H-pyridin-4-one
CID 170306807
6-(4-tert-butyl-5-chloro-2-methylphenyl)-2-methyl-3-propan-2-ylsulfanyl-1H-pyridin-4-one
CID 169249888
6-(4-tert-butyl-5-chloro-2-methylphenyl)-2-methyl-3-(2-methyltetrazol-5-yl)-1H-pyridin-4-one
CID 169250139

Frequently Asked Questions

What is the IUPAC name of 2-(4-tert-butyl-5-chloro-2-methylphenyl)-1H-1,6-naphthyridin-4-one?
The IUPAC name of 2-(4-tert-butyl-5-chloro-2-methylphenyl)-1H-1,6-naphthyridin-4-one (CID 169256145) is 2-(4-tert-butyl-5-chloro-2-methylphenyl)-1H-1,6-naphthyridin-4-one.
What is the SMILES notation for 2-(4-tert-butyl-5-chloro-2-methylphenyl)-1H-1,6-naphthyridin-4-one?
The canonical SMILES for 2-(4-tert-butyl-5-chloro-2-methylphenyl)-1H-1,6-naphthyridin-4-one is Cc1cc(C(C)(C)C)c(Cl)cc1-c1cc(=O)c2cnccc2[nH]1.
What is the InChIKey of 2-(4-tert-butyl-5-chloro-2-methylphenyl)-1H-1,6-naphthyridin-4-one?
The InChIKey is SOIYOVLLSBXKAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19ClN2O/c1-11-7-14(19(2,3)4)15(20)8-12(11)17-9-18(23)13-10-21-6-5-16(13)22-17/h5-10H,1-4H3,(H,22,23).
What are the key properties of 2-(4-tert-butyl-5-chloro-2-methylphenyl)-1H-1,6-naphthyridin-4-one?
2-(4-tert-butyl-5-chloro-2-methylphenyl)-1H-1,6-naphthyridin-4-one has a molecular weight of 326.83 g/mol, XLogP of 4.85, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-tert-butyl-5-chloro-2-methylphenyl)-1H-1,6-naphthyridin-4-one is sourced from PubChem (CID 169256145), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).